SCHEMBL14426952

SCHEMBL14426952

CCCS(=O)(=O)Cc1cccc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PARP14 Q460N5 1/20 0.40
▸ IDH1 O75874 1/20 0.40
▸ MEP1A Q16819 1/20 0.40
▸ MEP1B Q16820 1/20 0.40
▸ NR3C1 P04150 1/20 0.39
▸ CYP19A1 P11511 2/20 0.39
▸ CNR1 P21554 2/20 0.39
▸ CNR2 P34972 2/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL12303232 0.89 GLA (0.50) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL2401047 0.80 GLA (0.51) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL14426954 0.80 CYP2A6 (0.52) ALDH1A1MAPTMEN1KMT2ACYP19A1
SCHEMBL2157445 0.78 ALDH1A1 (0.55) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL28319154 0.78 GLA (0.43) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL4636453 0.78 GLA (0.49) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL1500860 0.77 ALDH1A1 (0.50) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL6011866 0.77 ALDH1A1 (0.53) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL21281719 0.77 CA1 (0.52) GLAALDH1A1MAPTMEN1KMT2A
SCHEMBL14426934 0.77 ALDH1A1 (0.51) GLAALDH1A1MEN1KMT2ANR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-08-30 — — US disclosed
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-14 — — US disclosed
US-7226921-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-05 — — US disclosed
US-7196099-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-27 — — 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 (2 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-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSE GLA 130/4885ALDH1A1 4037/4885MAPT 1877/4885
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE GLA 92/4885ALDH1A1 3814/4885MAPT 2116/4885

“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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