SCHEMBL2690127

SCHEMBL2690127

NCc1ccc(-c2cccs2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 1.00
▸ DPP4 P27487 4/20 0.65
▸ CYP2E1 P05181 5/20 0.55
▸ CYP2A6 P11509 5/20 0.55
▸ CYP2C9 P11712 4/20 0.55
▸ CYP2B6 P20813 4/20 0.55
▸ CYP2C19 P33261 4/20 0.55
▸ CYP3A4 P08684 4/20 0.55
▸ LOX P28300 1/20 0.49
▸ CYP2D6 P10635 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MEN1 O00255 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
Iodide SCHEMBL28780492 0.98 LTA4H (0.96) LTA4HDPP4CYP2E1CYP2A6CYP2C9
SCHEMBL9200282 0.98 LTA4H (0.96) LTA4HDPP4CYP2E1CYP2A6CYP2C9
SCHEMBL21823759 0.83 LTA4H (0.71) LTA4HDPP4ALDH1A1LMNAGAA
SCHEMBL29574366 0.82 LTA4H (0.68) LTA4HCYP2E1CYP2A6CYP2C9CYP2B6
Iodide SCHEMBL29574376 0.80 LTA4H (0.65) LTA4HCYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL799550 0.80 LTA4H (0.67) LTA4HDPP4ALDH1A1LMNAGAA
SCHEMBL406832 0.80 DPP4 (0.96) LTA4HDPP4CYP2A6ALDH1A1LMNA
SCHEMBL8575790 0.80 LTA4H (0.67) LTA4HDPP4ALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL31680393 0.78 DPP4 (0.93) LTA4HDPP4CYP2A6ALDH1A1LMNA
SCHEMBL2031590 0.78 DPP4 (0.68) LTA4HDPP4ALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 — — US claimed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 — — US claimed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 — — EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 — — US claimed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 — — US claimed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 — — EP claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 — — US claimed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 — — WO claimed
CN-109713133-B Organic-inorganic mixed perovskite compound, preparation method and application thereof 南开大学 2022-05-10 — — CN disclosed
CN-109713133-A Organic and inorganic mixing perovskite compound, preparation method and application 南开大学 2019-05-03 — — CN disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 — — US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 — — US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 — — US disclosed
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 — — US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 — — US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 — — US disclosed
WO-2005027856-A2 INHIBITORS OF ANTHRAX LETHAL FACTOR CENGENT THERAPEUTICS (US) 2005-03-31 — — WO disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 — — EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 — — US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 — — WO 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 LTA4H 1675/4885DPP4 997/4885CYP2E1 410/4885
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP LTA4H 2126/4885DPP4 19/4885CYP2E1 255/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A LTA4H 1892/4885DPP4 1450/4885CYP2E1 196/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H LTA4H 2577/4885DPP4 228/4885CYP2E1 708/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL LTA4H 2770/4885DPP4 19/4885CYP2E1 226/4885

“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.

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