Sugi Predict

Sugi Predict / Compounds / SCHEMBL3381144

SCHEMBL3381144

SCHEMBL3381144

[O-][S+](Cc1cc(OCC2CC2)ccn1)c1nc2cc(F)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.53
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ LNPEP Q9UIQ6 1/20 0.31
▸ HTR4 Q13639 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ HTR3A P46098 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ PARP15 Q460N3 1/20 0.31
▸ PARP10 Q53GL7 1/20 0.31
▸ PDE5A O76074 1/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4C Q08493 1/20 0.30
▸ PDE4D Q08499 1/20 0.30
▸ NOS3 P29474 1/20 0.30
▸ NOS1 P29475 1/20 0.30
▸ NOS2 P35228 1/20 0.30

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
SCHEMBL9226291 0.99 CYP2C9 (0.52) CYP2C9MAOAMAOBSYKLNPEP
SCHEMBL9227422 0.99 CYP2C9 (0.52) CYP2C9MAOAMAOBSYKLNPEP
SCHEMBL8435843 0.87 CYP2C9 (0.46) CYP2C9MAOAMAOBLNPEPSLC6A2
SCHEMBL8787879 0.85 CYP2C9 (0.51) CYP2C9MAOAMAOBSYKLNPEP
SCHEMBL10207873 0.84 CYP2C9 (0.39) CYP2C9
SCHEMBL713080 0.84 CYP2C9 (0.38) CYP2C9
SCHEMBL713081 0.84 CYP2C9 (0.38) CYP2C9
SCHEMBL896743 0.82 CYP2C9 (0.37) CYP2C9
SCHEMBL896742 0.82 CYP2C9 (0.37) CYP2C9
SCHEMBL9277592 0.82 PTPRC (0.36) CYP2C9LNPEPNOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3878669-B2 — — 2007-02-07 — — JP claimed
EP-1452172-A2 Multiple unit pharmaceutical preparation AstraZeneca AB (SE) 2004-09-01 — — EP claimed
US-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents MOORMAN ALAN E (US) 2001-11-29 — — US claimed
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 — — US claimed
EP-0724434-A1 MULTIPLE UNIT TABLETED DOSAGE FORM CONTAINING PROTON PUMP INHIBITOR Astra Aktiebolag (SE) 1996-08-07 — — EP claimed
EP-0723437-A1 MULTIPLE UNIT PHARMACEUTICAL PREPARATION CONTAINING PROTON PUMP INHIBITOR Astra Aktiebolag (SE) 1996-07-31 — — EP claimed
EP-0712400-A1 NOVEL SUBSTITUTED BENZIMIDAZOLES Astra Aktiebolag (SE) 1996-05-22 — — EP claimed
WO-1996001625-A1 MULTIPLE UNIT TABLETED DOSAGE FORM CONTAINING PROTON PUMP INHIBITOR ASTRA AKTIEBOLAG (SE) 1996-01-25 — — WO claimed
WO-1996001624-A1 MULTIPLE UNIT PHARMACEUTICAL PREPARATION CONTAINING PROTON PUMP INHIBITOR ASTRA AKTIEBOLAG (SE) 1996-01-25 — — WO claimed
WO-1995032958-A1 NOVEL SUBSTITUTED BENZIMIDAZOLES ASTRA AKTIEBOLAG (SE) 1995-12-07 — — WO claimed
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 — — WO claimed
EP-0449940-B1 NEW THERAPEUTICALLY ACTIVE COMPOUND AND A PROCESS FOR ITS PREPARATION HAESSLE AB (SE) 1995-09-13 — — EP claimed
US-5008278-A 5-fluoro-2 (4-cyclopropylmethoxy-2-pridinyl)-methyl! sulfinyl!-1h-benzimidazole for inhibiting gastric acid secretion AKTIEBOLAGET HASSLE (SE) 1991-04-16 — — US claimed
WO-1990006925-A1 NEW THERAPEUTICALLY ACTIVE COMPOUND AND A PROCESS FOR ITS PREPARATION Aktiebolaget Hässle (SE) 1990-06-28 — — WO claimed
US-8173817-B2 synthesis of substituted sulfoxides either as a single enantiomer or in an enantiomerically enriched form. Thus, 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thio]-1H-benzimidazole is reacted with (R)-camphorsulfonyl-5- (and 6-)methoxy-2-[(3camphorsulfonyl chloride to form a mixture HETERO DRUGS LIMITED (IN) 2012-05-08 — — US disclosed
US-8173817-B2 synthesis of substituted sulfoxides either as a single enantiomer or in an enantiomerically enriched form. Thus, 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thio]-1H-benzimidazole is reacted with (R)-camphorsulfonyl-5- (and 6-)methoxy-2-[(3camphorsulfonyl chloride to form a mixture HETERO DRUGS LIMITED (IN) 2012-05-08 — — US disclosed
US-7928240-B2 Process for preparation of substituted sulfoxides HETERO DRUGS LIMITED (IN) 2011-04-19 — — US disclosed
US-5008278-A 5-fluoro-2 (4-cyclopropylmethoxy-2-pridinyl)-methyl! sulfinyl!-1h-benzimidazole for inhibiting gastric acid secretion AKTIEBOLAGET HASSLE (SE) 1991-04-16 — — US disclosed
WO-1990006925-A1 NEW THERAPEUTICALLY ACTIVE COMPOUND AND A PROCESS FOR ITS PREPARATION Aktiebolaget Hässle (SE) 1990-06-28 — — WO disclosed
WO-1990006925-A1 NEW THERAPEUTICALLY ACTIVE COMPOUND AND A PROCESS FOR ITS PREPARATION Aktiebolaget Hässle (SE) 1990-06-28 — — 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 (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-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents ATP4A, ATP1A1, ATP1A4 CYP2C9 1120/4885MAOA 1944/4885MAOB 1533/4885

“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.