SCHEMBL2342509

SCHEMBL2342509

COC(=O)c1ccc(S(F)(F)(F)(F)F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.46
▸ PDK2 Q15119 2/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA7 P43166 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CA14 Q9ULX7 2/20 0.42
▸ PDK4 Q16654 1/20 0.42
▸ GAA P10253 3/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CFTR P13569 1/20 0.40

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
SCHEMBL1194373 0.81 TSHR (0.37) ALDH1A1KDM4EMAPTHPGDCASP1
SCHEMBL23877580 0.80 ALDH1A1 (0.60) ABL1PDK2CA12CA1CA2
SCHEMBL2342293 0.79 TSHR (0.57) PDK2CA12CA1CA2CA7
SCHEMBL164411 0.77 HPGD (0.53) ABL1PDK2CA12CA1CA2
SCHEMBL14012583 0.77 HPGD (0.53) ABL1PDK2CA12CA1CA2
SCHEMBL2884923 0.77 PDK2 (0.57) ABL1PDK2CA12CA1CA2
SCHEMBL608814 0.77 ABL1 (0.68) ABL1ALDH1A1KDM4EMAPTHPGD
SCHEMBL730895 0.75 CA12 (0.67) ABL1PDK2CA12CA1CA2
SCHEMBL335673 0.75 NPC1 (0.56) ABL1PDK2CA12CA1CA2
SCHEMBL69263 0.75 KDM4E (0.62) ABL1PDK2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (3 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-20080200553-A1 PENTAFLUOROSULFANYLBENZOYLGUANIDINES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS OR DIAGNOSTIC AIDS, AND MEDICAMENTS COMPRISING THEM TNNI3, TNNT2, SDHB ABL1 2131/4885PDK2 1875/4885CA12 4515/4885
US-20110306670-A1 PENTAFLUOROSULFANYLBENZOYLGUANIDINES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS OR DIAGNOSTIC AIDS, AND MEDICAMENTS COMPRISING THEM TNNI3, TNNT2, SDHB ABL1 2131/4885PDK2 1875/4885CA12 4515/4885
US-20030216476-A1 Pentafluorosulfanylbenzoylguanidines, processes for their preparation, their use as medicaments or diagnostic aids, and medicaments comprising them TNNI3, TNNT2, SDHB ABL1 2324/4885PDK2 1822/4885CA12 4468/4885

“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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