SCHEMBL2348838

SCHEMBL2348838

Cc1ccc(S(F)(F)(F)(F)F)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.44
▸ AKR1C3 P42330 4/20 0.44
▸ AKR1C2 P52895 4/20 0.44
▸ PTGS1 P23219 2/20 0.44
▸ TAS2R14 Q9NYV8 1/20 0.44
▸ MCL1 Q07820 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ CDK2 P24941 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.37
▸ CASR P41180 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL1633725 0.86 RXRB (0.46) PTGS2AKR1C3AKR1C2PTGS1TAS2R14
SCHEMBL16914511 0.80 CA1 (0.55) PTGS2MCL1ALDH1A1KDM4EHPGD
SCHEMBL26979278 0.80 AKR1C2 (0.44) PTGS2AKR1C3AKR1C2PTGS1TAS2R14
SCHEMBL23141189 0.78 PTGS2 (0.43) PTGS2AKR1C3AKR1C2PTGS1TAS2R14
SCHEMBL21814272 0.78 KEAP1 (0.58) PTGS2AKR1C3AKR1C2PTGS1TAS2R14
SCHEMBL31046834 0.78 WDR5 (0.40) PTGS2AKR1C3AKR1C2PTGS1TAS2R14
SCHEMBL15123097 0.78 ALDH1A1 (0.49) PTGS2AKR1C3AKR1C2PTGS1TAS2R14
SCHEMBL22628276 0.76 AKR1C2 (0.44) PTGS2AKR1C3AKR1C2PTGS1TAS2R14
SCHEMBL20357366 0.76 HDAC1 (0.40) PTGS2AKR1C3AKR1C2PTGS1TAS2R14
SCHEMBL12392029 0.75 SLC9A1 (0.49) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2807162-B1 SUBSTITUTED PHENYLIMIDAZOPYRAZOLES AND USE THEREOF Bayer Pharma AG (DE) 2017-06-07 — — EP disclosed
US-9394309-B2 Substituted phenylimidazopyrazoles and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-19 — — US disclosed
US-20150005288-A1 SUBSTITUTED PHENYLIMIDAZOPYRAZOLES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-01-01 — — US disclosed
US-20130190290-A1 Substituted phenylimidazopyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 — — US disclosed
US-8404893-B2 Pentafluorosulfanylbenzoylguanidines, processes for their preparation, their use as medicaments or diagnostic aids, and medicaments comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-03-26 — — US disclosed
US-20110306670-A1 PENTAFLUOROSULFANYLBENZOYLGUANIDINES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS OR DIAGNOSTIC AIDS, AND MEDICAMENTS COMPRISING THEM SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-12-15 — — US disclosed
US-8008352-B2 N-[2-Chloro-4-pentafluorosulfanylbenzoyl]guanidine; ischemia, reperfusion, arrythmia angina pectoris; inhibit the cellular sodium-proton antiporter (Na+/H+ exchanger, NHE); stability, longer half-life in vivo, high bioavailability SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-08-30 — — US disclosed
US-20080200553-A1 PENTAFLUOROSULFANYLBENZOYLGUANIDINES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS OR DIAGNOSTIC AIDS, AND MEDICAMENTS COMPRISING THEM SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-08-21 — — US disclosed
US-7375138-B2 Pentafluorosulfanylbenzoylguanidines, processes for their preparation, their use as medicaments or diagnostic aids, and medicaments comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-05-20 — — US disclosed
US-20030216476-A1 Pentafluorosulfanylbenzoylguanidines, processes for their preparation, their use as medicaments or diagnostic aids, and medicaments comprising them AVENTIS PHARMA DEUTSHCHLAND GMBH (DE) 2003-11-20 — — 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 (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-20150005288-A1 SUBSTITUTED PHENYLIMIDAZOPYRAZOLES AND USE THEREOF VHL, FLT4, FLT1 PTGS2 333/4885AKR1C3 2454/4885AKR1C2 2518/4885
US-20080200553-A1 PENTAFLUOROSULFANYLBENZOYLGUANIDINES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS OR DIAGNOSTIC AIDS, AND MEDICAMENTS COMPRISING THEM TNNI3, TNNT2, SDHB PTGS2 789/4885AKR1C3 2729/4885AKR1C2 3013/4885
US-20110306670-A1 PENTAFLUOROSULFANYLBENZOYLGUANIDINES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS OR DIAGNOSTIC AIDS, AND MEDICAMENTS COMPRISING THEM TNNI3, TNNT2, SDHB PTGS2 789/4885AKR1C3 2729/4885AKR1C2 3013/4885
US-20030216476-A1 Pentafluorosulfanylbenzoylguanidines, processes for their preparation, their use as medicaments or diagnostic aids, and medicaments comprising them TNNI3, TNNT2, SDHB PTGS2 696/4885AKR1C3 2694/4885AKR1C2 2927/4885
US-20130190290-A1 Substituted phenylimidazopyrazoles and their use VHL, FLT4, FLT1 PTGS2 374/4885AKR1C3 2557/4885AKR1C2 2469/4885

“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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