SCHEMBL3868030

SCHEMBL3868030

CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1CCCCCCCCO

nearest known ligand 0.98

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.80
PGR P06401 1/20 0.80
HDAC1 Q13547 4/20 0.77

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
SCHEMBL8517259 1.00 AR (0.80) ARPGRHDAC1
SCHEMBL1714908 0.99 AR (0.82) ARPGRHDAC1
SCHEMBL29453440 0.99 AR (0.82) ARPGRHDAC1
SCHEMBL2693558 0.96 AR (0.81) ARPGRHDAC1
SCHEMBL4020463 0.92 AR (0.77) ARPGRHDAC1
SCHEMBL30291848 0.92 AR (0.77) ARPGRHDAC1
SCHEMBL20003388 0.90 AR (0.78) ARPGRHDAC1
SCHEMBL3873391 0.90 AR (0.75) ARPGRHDAC1
SCHEMBL3871464 0.90 AR (0.75) ARPGRHDAC1
SCHEMBL20003480 0.90 AR (0.78) ARPGRHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601748-B2 Anti-androgenic N-[ omega -[3-[4-cyano-3-(trifluoromethyl)-phenyl]-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl]alkyl]-substituted pyrrolidines; treatment of prostate cancer, benign prostate hyperplasia, androgenetic alopecia, hirsutism or acne BAYER SCHERING PHARMA AG (DE) 2009-10-13 US disclosed
EP-1622894-B1 ANTITUMORAL ANTIANDROGENIC PYRROLIDINES BAYER SCHERING PHARMA AG (DE) 2009-01-14 EP disclosed
US-20070021481-A1 Anti-androgenic pyrrolidines with tumor-inhibiting action BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-25 US disclosed
US-7138421-B2 Anti-androgenic pyrrolidines with tumor-inhibiting action SCHRING AKTIENGESELLSCHAFT (DE) 2006-11-21 US disclosed
EP-1622894-A1 ANTITUMORAL ANTIADROGENIC PYRROLIDINES Schering Aktiengesellschaft (DE) 2006-02-08 EP disclosed
US-20050159468-A1 Anti-androgenic pyrrolidines with tumor-inhibiting action BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-07-21 US disclosed
WO-2004099188-A1 ANTITUMORAL ANTIADROGENIC PYRROLIDINES SCHERING AKTIENGESELLSCHAFT (DE) 2004-11-18 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 (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-20070021481-A1 Anti-androgenic pyrrolidines with tumor-inhibiting action NR5A1, AR, CYP17A1 AR 2/4885PGR 40/4885HDAC1 927/4885
US-20050159468-A1 Anti-androgenic pyrrolidines with tumor-inhibiting action NR5A1, AR, CYP17A1 AR 2/4885PGR 40/4885HDAC1 927/4885

“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.