SCHEMBL5106774

SCHEMBL5106774

O=C1CSCc2cc(Cl)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP1 P53582 2/20 0.44
▸ S100A4 P26447 2/20 0.42
▸ VHL P40337 1/20 0.40
▸ ELOC Q15369 1/20 0.40
▸ ELOB Q15370 1/20 0.40
▸ SRD5A1 P18405 3/20 0.39
▸ SRD5A2 P31213 2/20 0.39
▸ PPOX P50336 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ AHR P35869 1/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ F7 P08709 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ F3 P13726 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.36

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
SCHEMBL8474486 0.77 METAP1 (0.44) METAP1SRD5A1HPGDHTR2AHTR2C
SCHEMBL5113686 0.77 SRD5A1 (0.38) SRD5A1HPGDHTTPARP1PARP10
SCHEMBL2818053 0.77 TDP2 (0.43) CES1MAOAMAOBPRKCI
SCHEMBL8169678 0.77 METAP1 (0.44) METAP1S100A4SRD5A1SRD5A2L3MBTL1
SCHEMBL15186910 0.74 HTR2A (0.45) METAP1AHRHTR2AHTR2CHTR2B
SCHEMBL31029247 0.74 CASP1 (0.59) METAP1S100A4VHLELOCELOB
SCHEMBL28603 0.74 CASP1 (0.59) METAP1S100A4VHLELOCELOB
SCHEMBL2819249 0.73 HTR2A (0.42) HTR2AHTR2CHTR2BMAOAMAOB
SCHEMBL8162469 0.73 TDP2 (0.49) SRD5A1HPGDL3MBTL1HTTMAPT
SCHEMBL972858 0.73 METAP1 (0.50) METAP1HPGDHTR2AHTR2CHTR2B

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-7384960-B2 Pyrazolecarboxylic acid tricyclic derivatives, preparation and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2008-06-10 — — US disclosed
US-20050192332-A1 Pyrazolecarboxylic acid tricyclic derivatives, preparation and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2005-09-01 — — US disclosed
US-6906080-B1 Pyrazolecarboxylic acid tricyclic derivatives, preparation and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2005-06-14 — — US disclosed
EP-1230244-B1 PYRAZOLECARBOXYLIC ACID TRICYCLIC DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2005-01-19 — — EP disclosed
EP-1230244-A2 PYRAZOLECARBOXYLIC ACID TRICYCLIC DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2002-08-14 — — EP disclosed
WO-2001032663-A2 PYRAZOLECARBOXYLIC ACID TRICYCLIC DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2001-05-10 — — WO disclosed
US-5886016-A ANTIINFLAMMATORY AGENT WITH MINIMAL SIDE EFFECTS FOR TREATING ARTHRITIS G.D. SEARLE & CO. (US) 1999-03-23 — — US disclosed
US-5670532-A Pyrazolyl derivatives for the treatment of inflammation G. D. SEARLE & CO. (US) 1997-09-23 — — US disclosed
US-5565482-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS G.D. SEARLE & CO. (US) 1996-10-15 — — US disclosed
US-5547975-A ANTIARTHRIC AGENTS, ANALGESICS AND ANTIPYRETICS; INHIBITORS OF CYCLOOXYGENASE II; SIDE EFFECT REDUCTION G.D. SEARLE & CO. 1996-08-20 — — US disclosed
WO-1996009304-A1 BENZOPYRANOPYRAZOLYL DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-28 — — 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-20050192332-A1 Pyrazolecarboxylic acid tricyclic derivatives, preparation and pharmaceutical compositions containing same CNR1, CNR2, CBR3 METAP1 4707/4885S100A4 1776/4885VHL 4507/4885

“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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