SCHEMBL5113686

SCHEMBL5113686

O=C1CSCc2cc(F)ccc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 2/20 0.38
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ PARP1 P09874 2/20 0.36
▸ ACHE P22303 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.36
▸ MAOB P27338 8/20 0.35
▸ MAOA P21397 2/20 0.34
▸ TDP2 O95551 1/20 0.33
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32

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
SCHEMBL1986946 0.85 PARP1 (0.43) SRD5A1CA1CA2CA7CA9
SCHEMBL5106774 0.77 METAP1 (0.44) SRD5A1PARP1PARP10MAOBMAOA
SCHEMBL8474486 0.77 METAP1 (0.44) SRD5A1CA1CA2CA7CA9
SCHEMBL2818053 0.77 TDP2 (0.43) MAOBMAOATDP2HSD17B10CASP1
SCHEMBL29726050 0.74 CASP1 (0.59) SRD5A1MAOBMAOAHSD17B1HSD17B10
SCHEMBL192610 0.74 CASP1 (0.59) SRD5A1MAOBMAOAHSD17B1HSD17B10
SCHEMBL2819249 0.73 HTR2A (0.42) CA1CA2MAOBMAOA
SCHEMBL972858 0.73 METAP1 (0.50) CA1CA2CA7CA9ACHE
SCHEMBL8162469 0.73 TDP2 (0.49) SRD5A1PARP10MAOBMAOATDP2
SCHEMBL1984962 0.71 ACHE (0.54) CA9PARP1ACHEPARP10MAOB

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 8 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
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 SRD5A1 562/4885CA1 1572/4885CA2 1552/4885

“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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