SCHEMBL2453233

SCHEMBL2453233

CCCCCc1ccccc1C(O)=S

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.53
BID P55957 3/20 0.45
MCL1 Q07820 3/20 0.45
BCL2L1 Q07817 2/20 0.45
BAK1 Q16611 2/20 0.45
KAT8 Q9H7Z6 2/20 0.45
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.45
EP300 Q09472 1/20 0.45
KAT2A Q92830 1/20 0.45
KAT2B Q92831 1/20 0.45
KAT5 Q92993 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
CYSLTR2 Q9NS75 8/20 0.43
CYSLTR1 Q9Y271 8/20 0.43
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL9456271 0.98 LIPG (0.56) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL11569407 0.98 LIPG (0.56) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL10384517 0.98 LIPG (0.51) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL11570756 0.98 LIPG (0.56) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL9456052 0.98 LIPG (0.56) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL9791249 0.94 LIPG (0.46) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL11430114 0.86 KMT2A (0.43) LIPG
Thiobenzoic Acid SCHEMBL28533220 0.86 LIPG (0.40) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL5815657 0.85 LIPG (0.53) LIPGBIDMCL1BCL2L1BAK1
Thiobenzoic Acid SCHEMBL5007779 0.84 LIPG (0.38) LIPGBIDMCL1BCL2L1BAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4902826-A REACTING LITHIUM 2-CHLOROBENZOATE WITH LITHIUM THIOPHENOXIDE OR DERIVATIVE BAYER AKTIENGESELLSCHAFT (DE) 1990-02-20 US claimed
JP-1070459-A None JP disclosed
US-8022072-B2 Azolylmethylidenehydrazine derivative and use thereof KAKEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-07-29 US disclosed
EP-2168951-A1 AZOLYLMETHYLENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-31 EP disclosed
EP-0641343-B1 4-MERCAPTOACETYLAMINO-[2] BENZAZEPINONE(3) DERIVATIVES, AND USE AS ENKEPHALINASE INHIBITORS MERRELL PHARMA INC (US) 2003-06-25 EP disclosed
EP-0641343-A1 4-MERCAPTOACETYLAMINO- 2] BENZAZEPINONE(3) DERIVATIVES, AND USE AS ENKEPHALINASE INHIBITORS MERRELL PHARMACEUTICALS INC. (US) 1995-03-08 EP disclosed
WO-1993023397-A1 4-MERCAPTOACETYLAMINO-[2] BENZAZEPINONE(3) DERIVATIVES, AND USE AS ENKEPHALINASE INHIBITORS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-11-25 WO disclosed
US-5238932-A Mercaptoacetylamide tricyclic derivatives useful as inhibitors of enkephalinase MERRELL DOW PHARMACEUTICALS INC. (US) 1993-08-24 US disclosed
US-4902826-A REACTING LITHIUM 2-CHLOROBENZOATE WITH LITHIUM THIOPHENOXIDE OR DERIVATIVE BAYER AKTIENGESELLSCHAFT (DE) 1990-02-20 US disclosed
US-4094900-A Method of preparing aryloxybenzoic and arylthiobenzoic acids SMITHKLINE CORPORATION (US) 1978-06-13 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 (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-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF ARSA, AHR, HRH2 LIPG 4573/4885BID 3182/4885MCL1 2443/4885

“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.