SCHEMBL2998201

SCHEMBL2998201

Cc1ccc(S(=O)(=O)O)cc1.Cc1nccn1C

nearest known ligand 0.51

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 3/20 0.46
CYP2D6 P10635 3/20 0.43
PKM P14618 1/20 0.41
CYP2C9 P11712 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
KMT2A Q03164 1/20 0.40
COMT P21964 1/20 0.40
SNCA P37840 1/20 0.39

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
SCHEMBL17961164 0.87 SMN1; SMN2 (0.52) KDM4EALDH1A1MAPTTDP1L3MBTL1
Sulfuric Acid SCHEMBL4250215 0.82 LPO (0.41) KDM4EALDH1A1HTTTSHRCYP3A4
Sulfuric Acid SCHEMBL2995711 0.82 LPO (0.41) KDM4EALDH1A1HTTTSHRCYP3A4
SCHEMBL5091012 0.82 TSHR (0.54) KDM4EALDH1A1MAPTTDP1L3MBTL1
SCHEMBL28367333 0.81 TSHR (0.50) KDM4EALDH1A1MAPTTDP1L3MBTL1
SCHEMBL29402099 0.81 TSHR (0.53) KDM4EALDH1A1MAPTTDP1L3MBTL1
SCHEMBL3000417 0.81 CA12 (0.42) KDM4EALDH1A1SMN1; SMN2CYP3A4KMT2A
SCHEMBL2394920 0.80 ALDH1A1 (0.48) KDM4EALDH1A1MAPTTDP1L3MBTL1
SCHEMBL7418618 0.79 NMT1 (0.46) KDM4EALDH1A1MAPTTDP1L3MBTL1
SCHEMBL1947104 0.78 GAA (0.59) KDM4EALDH1A1MAPTTDP1L3MBTL1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812382-B1 METHOD FOR PRODUCING POLYISOCYANATES BASF SE (DE) 2013-01-23 EP claimed
US-20090112017-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESSELLSCHAFT (DE) 2009-04-30 US claimed
CN-111836849-B Process for producing fibers, films and moldings of polybenzazole polymer (P) 巴斯夫欧洲公司 2023-04-07 CN disclosed
EP-3512905-B1 METHOD FOR PRODUCING A POLYBENZAZOL POLYMER (P) BASF SE (DE) 2022-08-24 EP disclosed
US-20200407508-A1 METHOD FOR PRODUCING FIBERS, FILMS AND MOLDINGS OF A POLYBENZAZOLE POLYMER (P) BASF SE (DE) 2020-12-31 US disclosed
EP-3512905-A1 METHOD FOR PRODUCING A POLYBENZAZOL POLYMER (P) BASF SE (DE) 2019-07-24 EP disclosed
EP-1812382-B1 METHOD FOR PRODUCING POLYISOCYANATES BASF SE (DE) 2013-01-23 EP disclosed
US-7897806-B2 Reacting primary amines with phosgene in ionic liquid as solvent BASF AKTIENGESELLSCHAFT (DE) 2011-03-01 US disclosed
US-20100191010-A1 PROCESS FOR THE SYNTHESIS OF CARBAMATES USING CO2 HUNTSMAN INTERNATIONAL LLC (US) 2010-07-29 US disclosed
EP-2173705-A1 PROCESS FOR THE SYNTHESIS OF CARBAMATES USING CO2 Huntsman International LLC (US) 2010-04-14 EP disclosed
US-7659430-B2 Method for separating hydrogen chloride and phosgene BASF AKTIENGESELLSCHAFT (DE) 2010-02-09 US disclosed
EP-1789160-B1 METHOD FOR SEPARATING HYDROGEN CHLORIDE AND PHOSGENE BASF SE (DE) 2009-11-18 EP disclosed
US-20090112017-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESSELLSCHAFT (DE) 2009-04-30 US disclosed
WO-2009013062-A1 PROCESS FOR THE SYNTHESIS OF CARBAMATES USING CO2 HUNTSMAN INTERNATIONAL LLC (US) 2009-01-29 WO disclosed
EP-2011782-A1 Process for the synthesis of carbamates using co2 HUNTSMAN INTERNATIONAL LLC (US) 2009-01-07 EP disclosed
US-20070293707-A1 Method for Separating Hydrogen Chloride and Phosgene BASF AKTIENGESELLSCHAFT (DE) 2007-12-20 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 (2 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-20090112017-A1 METHOD FOR PRODUCING POLYISOCYANATES PGLS, INMT, PNMT KDM4E 3386/4885ALDH1A1 4028/4885MAPT 1739/4885
US-20070293707-A1 Method for Separating Hydrogen Chloride and Phosgene PSPH, SLC9B2, HVCN1 KDM4E 4758/4885ALDH1A1 4716/4885MAPT 4430/4885

“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.