SCHEMBL5113809

SCHEMBL5113809

O=C(O)C(=O)C1=C(O)c2ccc(Cl)cc2CS1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.41
▸ SRD5A1 P18405 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ HSD17B3 P37058 2/20 0.36
▸ KMT2A Q03164 3/20 0.34
▸ GAA P10253 1/20 0.34
▸ TP53 P04637 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ METAP1 P53582 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ EGFR P00533 1/20 0.33

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
SCHEMBL5120048 0.74 SRD5A1 (0.55) SRD5A2SRD5A1HSP90AA1CA1CA2
SCHEMBL11658676 0.65 SRD5A2 (0.55) SRD5A2SRD5A1KDM4EKMT2AGAA
SCHEMBL7918742 0.62 ALDH1A1 (0.54) SRD5A2CA1CA2KDM4ETP53
SCHEMBL11566981 0.62 AKR1B1 (0.44) SRD5A2SRD5A1CA1CA2KDM4E
Acetic Acid SCHEMBL28167102 0.62 HSP90AA1 (0.57) SRD5A2SRD5A1HSP90AA1CA1CA2
SCHEMBL1697496 0.61 TSHR (0.69) SRD5A2KDM4EKMT2ATP53SMN1; SMN2
SCHEMBL5106774 0.60 METAP1 (0.44) SRD5A2SRD5A1HTTMETAP1MAPT
SCHEMBL13864431 0.60 MAPT (0.50) KDM4EHSD17B3KMT2AGAATP53
SCHEMBL10905860 0.60 — —
SCHEMBL4025662 0.59 SRD5A1 (0.61) SRD5A2SRD5A1HSP90AA1CA1CA2

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 3 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

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 SRD5A2 724/4885SRD5A1 562/4885HSP90AA1 4327/4885

“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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