SCHEMBL8409947

SCHEMBL8409947

COC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.75
CYP3A4 P08684 2/20 0.75
PGR P06401 1/20 0.75
CES2 O00748 1/20 0.64
ABCB11 O95342 1/20 0.64
ALDH1A1 P00352 1/20 0.64
LMNA P02545 1/20 0.64
CYP1A2 P05177 1/20 0.64
GLA P06280 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
CHRM1 P11229 1/20 0.64
CYP2C9 P11712 1/20 0.64
ALOX15 P16050 1/20 0.64
TSHR P16473 1/20 0.64
TBXA2R P21731 1/20 0.64
AADAC P22760 1/20 0.64
MAPK1 P28482 1/20 0.64
CYP2C19 P33261 1/20 0.64
ADRA1A P35348 1/20 0.64
HTT P42858 1/20 0.64

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
SCHEMBL8410320 0.88 AR (0.72) ARCYP3A4PGRCES2ABCB11
SCHEMBL2011994 0.87 AR (0.82) ARCYP3A4PGRCES2ABCB11
SCHEMBL11407111 0.86 AR (0.85) ARCYP3A4PGRCES2ABCB11
SCHEMBL8409001 0.86 AR (0.81) ARCYP3A4PGRCES2ABCB11
Hydroxyflutamide SCHEMBL3079778 0.86 AR (1.00) ARCYP3A4PGRCES2ABCB11
Hydroxyflutamide SCHEMBL29379312 0.86 AR (1.00) ARCYP3A4PGRCES2ABCB11
SCHEMBL8409337 0.85 AR (0.79) ARCYP3A4PGRCES2ABCB11
SCHEMBL14086876 0.85 AR (0.83) ARCYP3A4PGRCES2ABCB11
SCHEMBL8407213 0.85 AR (0.79) ARCYP3A4PGRCES2ABCB11
SCHEMBL7524151 0.84 AR (0.81) ARCYP3A4PGRCES2ABCB11

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-20230331694-A1 FAP-ACTIVATED COMPOUNDS FOR TREATMENT OF CANCER UNITED STATES GOVERNMENT 2023-10-19 US 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

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-20230331694-A1 FAP-ACTIVATED COMPOUNDS FOR TREATMENT OF CANCER FAP, ACP3, FOLH1 AR 402/4885CYP3A4 948/4885PGR 3098/4885

“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.