Sugi Predict

Sugi Predict / Compounds / SCHEMBL787870

SCHEMBL787870

SCHEMBL787870

CC(=O)CSc1ccc(C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.62
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ USP2 O75604 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ RAB9A P51151 4/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ TP53 P04637 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ FKBP1A P62942 1/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ HTT P42858 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47

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
SCHEMBL6208171 0.83 PKM (0.58) PKMKMT2AMEN1USP2SMN1; SMN2
SCHEMBL1660160 0.83 FFAR1 (0.65) PKMKMT2AMEN1USP2HPGD
SCHEMBL17285630 0.83 FFAR1 (0.65) PKMSMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL3428545 0.81 PKM (0.56) PKMKMT2AMEN1USP2HPGD
SCHEMBL941105 0.81 SMN1; SMN2 (0.66) PKMKMT2AMEN1HPGDRAB9A
SCHEMBL11217371 0.81 SMN1; SMN2 (0.66) PKMKMT2AMEN1USP2HPGD
SCHEMBL11217368 0.81 RAB9A (0.56) PKMKMT2AMEN1USP2HPGD
SCHEMBL19982476 0.81 MEN1 (0.53) PKMKMT2AMEN1USP2HPGD
SCHEMBL1251803 0.81 PKM (0.56) PKMKMT2AMEN1HPGDRAB9A
SCHEMBL3430422 0.81 PKM (0.56) PKMKMT2ARAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616450-B1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2018-05-02 — — EP disclosed
EP-2616450-B1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2018-05-02 — — EP disclosed
US-9757407-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-12 — — US disclosed
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS UNIV PRINCETON (US) 2016-12-01 — — US disclosed
US-9233946-B2 Sulfonamide compounds KANCERA AB (SE) 2016-01-12 — — US disclosed
US-9233946-B2 Sulfonamide compounds KANCERA AB (SE) 2016-01-12 — — US disclosed
US-9233946-B2 Sulfonamide compounds KANCERA AB (SE) 2016-01-12 — — US disclosed
US-9029413-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-05-12 — — US disclosed
EP-2616450-A2 SULFONAMIDE COMPOUNDS Kancera AB (SE) 2013-07-24 — — EP disclosed
US-20130172339-A1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2013-07-04 — — US disclosed
US-20130172339-A1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2013-07-04 — — US disclosed
US-20130172339-A1 SULFONAMIDE COMPOUNDS KANCERA AB (SE) 2013-07-04 — — US disclosed
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-03-14 — — US disclosed
US-8273902-B2 Process for production of 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propyl)azetidin-3-ol or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-09-25 — — US disclosed
US-8158677-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-04-17 — — US disclosed
WO-2012035171-A2 NEW COMPOUNDS KANCERA AB (SE) 2012-03-22 — — WO disclosed
WO-2012035171-A2 NEW COMPOUNDS KANCERA AB (SE) 2012-03-22 — — WO disclosed
US-7951963-B2 Process for production of 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propyl)azetidin-3-ol or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2011-05-31 — — US disclosed
US-20110098484-A1 PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)- ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2011-04-28 — — US disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 — — 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 (5 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-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 PKM 154/4885KMT2A 3171/4885MEN1 4221/4885
US-20110098484-A1 PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)- ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF PMP22, ACOX1, PAOX PKM 1332/4885KMT2A 4171/4885MEN1 798/4885
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 PKM 154/4885KMT2A 3171/4885MEN1 4221/4885
US-20130172339-A1 SULFONAMIDE COMPOUNDS SULT1A1, STS, ARSA PKM 1612/4885KMT2A 1232/4885MEN1 3971/4885
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 PKM 154/4885KMT2A 3171/4885MEN1 4221/4885

“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.