SCHEMBL12378041

SCHEMBL12378041

C[C@](O)(COc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.54
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
MMP2 P08253 2/20 0.49
PPARA Q07869 3/20 0.47
PPARD Q03181 2/20 0.47
RAB9A P51151 1/20 0.44
MAOB P27338 1/20 0.44
MMP3 P08254 1/20 0.43

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
SCHEMBL14263051 1.00 AR (0.54) ARALDH1A1MAPTMMP2PPARA
SCHEMBL13520469 1.00 AR (0.54) ARALDH1A1MAPTMMP2PPARA
SCHEMBL13574311 0.87 AR (0.54) ARALDH1A1MAPTMMP2RAB9A
SCHEMBL18677477 0.86 AR (0.53) ARALDH1A1MAPTMMP2RAB9A
SCHEMBL14933773 0.86 AR (0.54) ARALDH1A1MAPTMMP2RAB9A
SCHEMBL18677371 0.86 AR (0.53) ARALDH1A1MAPTMMP2RAB9A
SCHEMBL17643998 0.86 AR (0.53) ARALDH1A1MAPTMMP2RAB9A
SCHEMBL4279128 0.86 AR (0.54) ARALDH1A1MAPTMMP2RAB9A
SCHEMBL13523302 0.84 AR (0.52) ARALDH1A1MAPTMMP2RAB9A
SCHEMBL10062799 0.84 AR (0.55) ARALDH1A1MAPTMMP2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3147278-B1 COMPOUND FOR TREATING BREAST CANCER AND PROGESTIN-DEPENDENT CONDITIONS UNIV TENNESSEE RES FOUND (US) 2020-02-12 EP disclosed
US-20180071242-A1 SUBSTITUTED ACYLANILIDES AND METHODS OF USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2018-03-15 US disclosed
EP-3147278-A1 COMPOUND FOR TREATING BREAST CANCER AND PROGESTIN-DEPENDENT CONDITIONS University of Tennessee Research Foundation (US) 2017-03-29 EP disclosed
US-20160089356-A1 SUBSTITUTED ACYLANILIDES AND METHODS OF USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2016-03-31 US disclosed
US-8003689-B2 Metabolites of selective androgen receptor modulators and methods of use thereof GTX, INC. (US) 2011-08-23 US disclosed
US-8003689-B2 Metabolites of selective androgen receptor modulators and methods of use thereof GTX, INC. (US) 2011-08-23 US disclosed
US-20100004326-A1 METABOLITES OF SELECTIVE ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF ONCTERNAL THERAPEUTICS, INC 2010-01-07 US disclosed
US-20100004326-A1 METABOLITES OF SELECTIVE ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF ONCTERNAL THERAPEUTICS, INC 2010-01-07 US disclosed
WO-2009155481-A1 METABOLITES OF SELECTIVE ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF GTX, INC. (US) 2009-12-23 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 (3 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-20100004326-A1 METABOLITES OF SELECTIVE ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF AR, SHBG, GPR119 AR 1/4885ALDH1A1 777/4885MAPT 2968/4885
US-20180071242-A1 SUBSTITUTED ACYLANILIDES AND METHODS OF USE THEREOF CPT1B, MTPN, MUSK AR 1366/4885ALDH1A1 754/4885MAPT 4229/4885
US-20160089356-A1 SUBSTITUTED ACYLANILIDES AND METHODS OF USE THEREOF CPT1B, MTPN, MUSK AR 1366/4885ALDH1A1 754/4885MAPT 4229/4885

“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.