SCHEMBL9106048

SCHEMBL9106048

O=C1C=Cc2ccccc2/C1=N/Nc1ccc2ccccc2c1S(=O)(=O)[O-].O=C1C=Cc2ccccc2/C1=N/Nc1ccc2ccccc2c1S(=O)(=O)[O-].[Ca+2]

nearest known ligand 0.36

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.36
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
BCHE P06276 1/20 0.35
POLB P06746 1/20 0.35
PTPRC P08575 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
PKM P14618 1/20 0.35
IDO1 P14902 1/20 0.35
ALOX15 P16050 1/20 0.35
PTPN1 P18031 1/20 0.35
ACHE P22303 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9105169 0.98 CES1 (0.36) CES1MEN1ALDH1A1LMNAHPGD
SCHEMBL9107685 0.98 CES1 (0.36) CES1MEN1ALDH1A1LMNAHPGD
SCHEMBL341772 0.98 CES1 (0.36) CES1MEN1ALDH1A1LMNAHPGD
SCHEMBL10021591 0.88 CES1 (0.37) CES1MEN1ALDH1A1LMNAHPGD
SCHEMBL342150 0.80
SCHEMBL342250 0.80 THRB (0.37) CES1MEN1ALDH1A1LMNAHPGD
SCHEMBL11968417 0.80 KDM4E (0.40) CES1MEN1ALDH1A1LMNAHPGD
SCHEMBL11876684 0.80 KDM4E (0.40) CES1MEN1ALDH1A1LMNAHPGD
SCHEMBL30702588 0.80 KDM4E (0.40) CES1MEN1ALDH1A1LMNAHPGD
SCHEMBL2861511 0.74 MAPT (0.39) CES1MEN1ALDH1A1LMNAHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250108658-A1 INKJET PRINTING PROCESSES FOR TEMPORARY TATTOOS Prism Inks, Inc. (US) 2025-04-03 US disclosed
US-20230310300-A1 HAIR COLOURING COMPOSITIONS COMPRISING A BIO-BASED POLYMER AND A CROSSLINKER HFC PRESTIGE SERVICE GERMINY GMBH (DE) 2023-10-05 US disclosed
EP-4171500-A1 HAIR COLOURING COMPOSITIONS COMPRISING A BIO-BASED POLYMER AND A CROSSLINKER Wella Germany GmbH (DE) 2023-05-03 EP disclosed
US-11384033-B2 Compositions with improved urease-inhibiting effect comprising (thio)phosphoric acid triamide and further compounds such as amines and colorants BASF SE (DE) 2022-07-12 US disclosed
US-11324688-B2 Bicomponent composition WELLA INTERNATIONAL OPERATIONS SWI (CH) 2022-05-10 US disclosed
US-20220054392-A1 MULTICOMPONENT IN SITU COLORATION COMPOSITION WELLA INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2022-02-24 US disclosed
US-20220016017-A1 COLOR COATINGS WITH DOWNSTREAM FEATURES HFC PRESTIGE SERVICE GERMANY GMBH (DE) 2022-01-20 US disclosed
WO-2022002983-A1 HAIR COLOURING COMPOSITIONS COMPRISING A BIO-BASED POLYMER AND A CROSSLINKER HFC PRESTIGE SERVICE GERMANY GMBH (DE) 2022-01-06 WO disclosed
EP-3890683-A1 MULTICOMPONENT IN SITU COLORATION COMPOSITION HFC Prestige International Holding Switzerland S.a.r.l. (CH) 2021-10-13 EP disclosed
US-20210290519-A1 MULTICOMPONENT SILICONE COMPOSITION WELLA INT OPERATIONS SWITZERLAND SARL (CH) 2021-09-23 US disclosed
WO-2020114647-A1 MULTICOMPONENT IN SITU COLORATION COMPOSITION HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2020-06-11 WO disclosed
US-20200157018-A1 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING (THIO)PHOSPHORIC ACID TRIAMIDE AND FURTHER COMPOUNDS SUCH AS AMINES AND COLORANTS BASF SE (DE) 2020-05-21 US disclosed
US-10577290-B2 Compositions with improved urease-inhibiting effect comprising (thio)phosphoric acid triamide and further compounds such as amines and colorants BASF SE (DE) 2020-03-03 US disclosed
WO-2020007511-A1 MULTICOMPONENT SILICONE COMPOSITION HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2020-01-09 WO disclosed
WO-2020007510-A1 MULTICOMPONENT PUR COMPOSITION HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2020-01-09 WO disclosed
WO-2019192916-A1 BICOMPONENT COMPOSITION HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2019-10-10 WO disclosed
US-20170369385-A1 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING (THIO)PHOSPHORIC ACID TRIAMIDE AND FURTHER COMPOUNDS SUCH AS AMINES AND COLORANTS BASF SE (DE) 2017-12-28 US disclosed
US-20120141398-A1 HAIR DYE CONTAINING ONE OR MORE EDIBLE OR COSMETIC COLORS CHUANG KUO SHENG (TW) 2012-06-07 US disclosed
EP-0360757-A2 Phosphate ester pigment dispersant SUN CHEMICAL CORPORATION (US) 1990-03-28 EP disclosed
US-4872916-A ANIONIC SURFACTANTS FOR AQUEOUS SYSTEMS OF ORGANIC PIGMENTS; STORAGE STABILITY SUN CHEMICAL CORPORATION (US) 1989-10-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200157018-A1 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING (THIO)PHOSPHORIC ACID TRIAMIDE AND FURTHER COMPOUNDS SUCH AS AMINES AND COLORANTS SLC14A1, XDH, PNP CES1 407/4885MEN1 4263/4885ALDH1A1 1062/4885
US-20220016017-A1 COLOR COATINGS WITH DOWNSTREAM FEATURES KRT18, ITGA5, FLNA CES1 4636/4885MEN1 2431/4885ALDH1A1 4045/4885
US-20230310300-A1 HAIR COLOURING COMPOSITIONS COMPRISING A BIO-BASED POLYMER AND A CROSSLINKER KRT18, MKI67, IK CES1 4520/4885MEN1 811/4885ALDH1A1 1521/4885
US-20210290519-A1 MULTICOMPONENT SILICONE COMPOSITION CUTA, CD99, PLOD3 CES1 4282/4885MEN1 10/4885ALDH1A1 1760/4885
US-20220054392-A1 MULTICOMPONENT IN SITU COLORATION COMPOSITION KRT18, PRKDC, VIM CES1 4013/4885MEN1 1309/4885ALDH1A1 2062/4885
US-11324688-B2 Bicomponent composition KRT18, EXOSC10, EXOSC9 CES1 4881/4885MEN1 1869/4885ALDH1A1 3152/4885
US-11384033-B2 Compositions with improved urease-inhibiting effect comprising (thio)phosphoric acid triamide and further compounds such as amines and colorants SLC14A1, XDH, PNP CES1 407/4885MEN1 4263/4885ALDH1A1 1062/4885
US-20170369385-A1 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING (THIO)PHOSPHORIC ACID TRIAMIDE AND FURTHER COMPOUNDS SUCH AS AMINES AND COLORANTS SLC14A1, XDH, PNP CES1 407/4885MEN1 4263/4885ALDH1A1 1062/4885
US-10577290-B2 Compositions with improved urease-inhibiting effect comprising (thio)phosphoric acid triamide and further compounds such as amines and colorants SLC14A1, XDH, PNP CES1 407/4885MEN1 4263/4885ALDH1A1 1062/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.