SCHEMBL4174536

SCHEMBL4174536

CCC(C)(O)C(=S)Nc1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.54
CYP2C19 P33261 1/20 0.53

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
SCHEMBL19243489 0.85 AR (0.69) ARCYP2C19
SCHEMBL20113379 0.85 AR (0.69) ARCYP2C19
SCHEMBL14878986 0.85 AR (0.69) ARCYP2C19
SCHEMBL10812511 0.85 AR (0.55) AR
SCHEMBL5430457 0.84 AR (0.57) ARCYP2C19
SCHEMBL2633009 0.80 AR (0.50) AR
SCHEMBL16946784 0.80 AR (0.52) AR
SCHEMBL22560838 0.79 AR (0.68) ARCYP2C19
SCHEMBL18814836 0.79 AR (0.61) ARCYP2C19
SCHEMBL17176192 0.79 AR (0.50) ARCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0100172-B1 AMIDE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-08-12 EP claimed
EP-0100172-A1 Amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-02-08 EP claimed
US-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 US disclosed
WO-2007005887-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS, COMPOSITIONS AND USES THEREOF LIGAND PHARMACEUTICALS INCORPORATED (US) 2007-01-11 WO disclosed
US-5994362-A ADMINISTERING FINASTERIDE AND CASODEX MERCK & CO., INC. (US) 1999-11-30 US disclosed
EP-0514056-A2 Use of estrogens or antiandrogens for reversal of male sexual phenotype in poultry MERCK & CO. INC. (US) 1992-11-19 EP disclosed
WO-1992016233-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC CANCER CONTAINING A 5 ALPHA REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 WO disclosed
EP-0100172-B1 AMIDE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-08-12 EP disclosed
US-4636505-A ANTIANDROGENS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-01-13 US disclosed
EP-0100172-A1 Amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-02-08 EP 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-20090227571-A1 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA AR 1/4885CYP2C19 1416/4885

“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.