SCHEMBL6829957

SCHEMBL6829957

COc1cc(C)ccc1C(=O)S

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
PLAU P00749 1/20 0.46
ALDH1A1 P00352 5/20 0.44
NPC1 O15118 5/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
HTT P42858 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
LMNA P02545 1/20 0.43
EPHX1 P07099 1/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43

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
SCHEMBL6997956 0.86 ACHE (0.54) ACHEIDO1TDO2ALDH1A1MAPT
SCHEMBL2064454 0.82 HTT (0.59) ACHEIDO1TDO2PLAUALDH1A1
SCHEMBL365917 0.82 ALDH1A1 (0.65) ACHEIDO1TDO2PLAUALDH1A1
SCHEMBL4274425 0.81 KDM4E (0.49) ACHEALDH1A1NPC1RAB9AMAPT
SCHEMBL136101 0.81 MAPT (0.60) ACHEIDO1TDO2PLAUALDH1A1
SCHEMBL9277359 0.81 NPC1 (0.64) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL704024 0.81 ACHE (0.57) ACHEIDO1TDO2PLAUALDH1A1
SCHEMBL11756782 0.81 ACHE (0.52) ACHEIDO1TDO2PLAUALDH1A1
SCHEMBL14038245 0.81 ACHE (0.57) ACHEIDO1TDO2PLAUALDH1A1
SCHEMBL11679436 0.81 ACHE (0.52) ACHEIDO1TDO2PLAUALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0196224-B1 Synthesis of inotropic imidazo[4,5-c]pyridine ELI LILLY AND COMPANY (US) 1989-08-16 EP claimed
EP-0196224-A1 Synthesis of inotropic imidazo[4,5-c]pyridine ELI LILLY AND COMPANY (US) 1986-10-01 EP claimed
EP-1347963-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS HOFFMANN LA ROCHE (CH) 2004-08-25 EP disclosed
EP-1347963-A2 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-01 EP disclosed
US-6433005-B1 SELECTIVE COX II INHIBITOR SYNTEX (U.S.A.) LLC 2002-08-13 US disclosed
US-20020107280-A1 NEW BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS SYNTEX (U.S.A.) LLC 2002-08-08 US disclosed
WO-2002046178-A2 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-13 WO disclosed
US-5686482-A DOPAMINE RECEPTOR ANTAGONIST YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-11 US disclosed
EP-0757985-A1 N-(3-PYRROLIDINYL)BENZAMIDE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-02-12 EP disclosed
EP-0196224-B1 Synthesis of inotropic imidazo[4,5-c]pyridine ELI LILLY AND COMPANY (US) 1989-08-16 EP disclosed
US-4810801-A Pyrrolobenzimidazoles, pharmaceutical compositions containing them, and use of them to treat certain heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1989-03-07 US disclosed
US-4710510-A Pyrrolobenzimidazoles, pharmaceutical compositions containing them, and use of them to treat certain heart and circulatory diseases BOEHRINGER MANNHEIM GMBH (DE) 1987-12-01 US disclosed
EP-0196224-A1 Synthesis of inotropic imidazo[4,5-c]pyridine ELI LILLY AND COMPANY (US) 1986-10-01 EP disclosed
EP-0196224-A1 Synthesis of inotropic imidazo[4,5-c]pyridine ELI LILLY AND COMPANY (US) 1986-10-01 EP 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 (1 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-20020107280-A1 NEW BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS SULT1E1, SULT2A1, SULT1A1 ACHE 1641/4885IDO1 416/4885TDO2 111/4885

“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.