SCHEMBL12712751

SCHEMBL12712751

C[C@](O)(CBr)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.73
KDR P35968 1/20 0.61
CNR2 P34972 1/20 0.58
PDK1 Q15118 1/20 0.56
LMNA P02545 1/20 0.52
KCNJ5 P48544 1/20 0.52
KCNJ3 P48549 1/20 0.52
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL4137272 0.85 AR (0.74) AR
SCHEMBL4137264 0.85 AR (0.74) AR
SCHEMBL14252941 0.85 AR (0.74) AR
SCHEMBL8407112 0.85 KDR (0.69) ARKDRCNR2PDK1LMNA
SCHEMBL20646267 0.84 AR (1.00) AR
SCHEMBL20326887 0.84 AR (1.00) AR
SCHEMBL13520476 0.84 AR (0.57) ARCYP2D6CYP2C9CYP2C19
SCHEMBL1291336 0.83 KDR (0.71) KDRCNR2PDK1LMNAKCNJ5
SCHEMBL29625148 0.83 KDR (0.71) KDRCNR2PDK1LMNAKCNJ5
SCHEMBL29625146 0.83 KDR (0.71) KDRCNR2PDK1LMNAKCNJ5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305636-A1 Selective androgen receptor modulators and methods of use thereof University of Tennessee Research Foundation (US) 2011-04-06 EP disclosed
US-7919647-B2 N-(3-substituted-4-cyano)phenyl-2-hydroxy-2-methyl-3-(4-cyano)phenoxy propamides; spermatogenesis inhibitors, hormone replacement therapy, anticarcinogenic, antiproliferative agents for prostate cancer, apoptotic agents; bone and muscle disorders UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2011-04-05 US disclosed
US-7645898-B2 Selective androgen receptor modulators and method of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2010-01-12 US disclosed
US-7595402-B2 Prodrugs of selective androgen receptor modulators and methods of use thereof GTX, INC. (US) 2009-09-29 US disclosed
US-20070173546-A1 Selective androgen receptor modulators and method of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2007-07-26 US disclosed
US-20070123563-A1 Selective androgen receptor modulators and method of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2007-05-31 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-20070173546-A1 Selective androgen receptor modulators and method of use thereof AR, SHBG, ESRRA AR 1/4885KDR 1320/4885CNR2 561/4885
US-20070123563-A1 Selective androgen receptor modulators and method of use thereof AR, SHBG, ESRRA AR 1/4885KDR 1320/4885CNR2 561/4885

“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.