SCHEMBL7033133

SCHEMBL7033133

[C-]#[N+]c1ccc(N2C(=O)C3(CCCC3)N(c3ccc(C(=O)NC)c(F)c3)C2=S)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 20/20 0.56
GABRP O00591 2/20 0.56
GABRD O14764 2/20 0.56
GABRA1 P14867 2/20 0.56
GABRB1 P18505 2/20 0.56
GABRG2 P18507 2/20 0.56
GABRB3 P28472 2/20 0.56
GABRA5 P31644 2/20 0.56
GABRA3 P34903 2/20 0.56
GABRA2 P47869 2/20 0.56
GABRB2 P47870 2/20 0.56
GABRA4 P48169 2/20 0.56
GABRE P78334 2/20 0.56
GABRA6 Q16445 2/20 0.56
GABRG1 Q8N1C3 2/20 0.56
GABRG3 Q99928 2/20 0.56
GABRQ Q9UN88 2/20 0.56
NR1I2 O75469 1/20 0.49
NR3C1 P04150 1/20 0.49
PGR P06401 1/20 0.49

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
SCHEMBL7033035 0.98 AR (0.58) ARGABRPGABRDGABRA1GABRB1
SCHEMBL11932816 0.91 AR (0.59) ARGABRPGABRDGABRA1GABRB1
SCHEMBL7032972 0.89 AR (0.68) ARGABRPGABRDGABRA1GABRB1
SCHEMBL7033021 0.88 AR (0.63) ARGABRPGABRDGABRA1GABRB1
SCHEMBL11932859 0.87 AR (0.56) ARGABRPGABRDGABRA1GABRB1
SCHEMBL7031419 0.87 AR (0.69) ARGABRPGABRDGABRA1GABRB1
SCHEMBL11932814 0.86 AR (0.54) ARGABRPGABRDGABRA1GABRB1
SCHEMBL11892392 0.85 AR (0.58) AR
SCHEMBL11893307 0.84 AR (0.69) ARGABRPGABRDGABRA1GABRB1
SCHEMBL11932820 0.84 AR (0.56) ARGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650359-B2 Modulators of resistant androgen receptor MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2017-05-16 US disclosed
US-20170087132-A1 Treatment of Breast Cancer MEDIVATION PROSTATE THERAPEUTICS LLC 2017-03-30 US disclosed
US-9517229-B2 Treatment of breast cancer MEDIVATION PROSTATE THERAPEUTICS, INC. (US) 2016-12-13 US disclosed
US-20160257666-A1 MODULATORS OF RESISTANT ANDROGEN RECEPTOR MEMORIAL SLOAN-KETTERING CANCER CENTER 2016-09-08 US disclosed
US-9365542-B2 Modulators of resistant androgen receptor MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2016-06-14 US disclosed
US-20150274693-A1 MODULATORS OF RESISTANT ANDROGEN RECEPTOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-01 US disclosed
US-20150265587-A1 ANDROGEN RECEPTOR VARIANTS AND METHODS FOR MAKING AND USING MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2015-09-24 US disclosed
US-9126941-B2 Treatment of hyperproliferative disorders with diarylhydantoin compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-09-08 US disclosed
US-20150112082-A1 DIARYLHYDANTOIN COMPOUNDS HOWARD HUGHES MEDICAL INSTITUTE 2015-04-23 US disclosed
US-20140343111-A1 DIARYLTHIOHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-20 US disclosed
US-20140296312-A1 TREATMENT OF BREAST CANCER THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2014-10-02 US disclosed
US-8658681-B2 2014-02-25 US disclosed
US-8648105-B2 Diarylthiohydantoin compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-11 US disclosed
US-20140031409-A1 METHODS FOR TREATING ANDROGEN RECEPTOR DEPENDENT DISORDERS INCLUDING CANCERS SANTARIS PHARMA A/S (DK) 2014-01-30 US disclosed
US-8450290-B2 Methods for treating androgen receptor dependent disorders including cancers ENZON PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-20130034501-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-02-07 US disclosed
US-20120295944-A1 TREATMENT OF HYPERPROLIFERATIVE DISORDERS WITH DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-22 US disclosed
US-20120190718-A1 DIARYLTHIOHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-26 US disclosed
US-8183274-B2 Treatment of hyperproliferative disorders with diarylhydantoin compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-22 US disclosed
US-20110152348-A1 METHODS FOR TREATING ANDROGEN RECEPTOR DEPENDENT DISORDERS INCLUDING CANCERS ENZON PHARMACEUTICALS, INC. (US) 2011-06-23 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 (12 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-20150265587-A1 ANDROGEN RECEPTOR VARIANTS AND METHODS FOR MAKING AND USING AR, NR5A1, NR3C2 AR 1/4885GABRP 2507/4885GABRD 2427/4885
US-20110152348-A1 METHODS FOR TREATING ANDROGEN RECEPTOR DEPENDENT DISORDERS INCLUDING CANCERS AR, ESRRB, ESRRA AR 1/4885GABRP 820/4885GABRD 277/4885
US-20120295944-A1 TREATMENT OF HYPERPROLIFERATIVE DISORDERS WITH DIARYLHYDANTOIN COMPOUNDS CDK4, CCNH, VHL AR 113/4885GABRP 4700/4885GABRD 3973/4885
US-20140031409-A1 METHODS FOR TREATING ANDROGEN RECEPTOR DEPENDENT DISORDERS INCLUDING CANCERS AR, ESRRB, ESRRA AR 1/4885GABRP 820/4885GABRD 277/4885
US-20170087132-A1 Treatment of Breast Cancer BRCA1, MKI67, BAX AR 2292/4885GABRP 2593/4885GABRD 3792/4885
US-20150112082-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, AR, SHBG AR 2/4885GABRP 4199/4885GABRD 3464/4885
US-20160257666-A1 MODULATORS OF RESISTANT ANDROGEN RECEPTOR AR, NR5A1, ESRRA AR 1/4885GABRP 256/4885GABRD 179/4885
US-20140296312-A1 TREATMENT OF BREAST CANCER BRCA1, BAX, BAD AR 2166/4885GABRP 2459/4885GABRD 3707/4885
US-20120190718-A1 DIARYLTHIOHYDANTOIN COMPOUNDS AR, SHBG, PTMS AR 1/4885GABRP 3664/4885GABRD 2624/4885
US-20130034501-A1 DIARYLHYDANTOIN COMPOUNDS FAP, LEF1, LPXN AR 11/4885GABRP 4859/4885GABRD 4634/4885
US-20140343111-A1 DIARYLTHIOHYDANTOIN COMPOUNDS AR, SHBG, PTMS AR 1/4885GABRP 3664/4885GABRD 2624/4885
US-20150274693-A1 MODULATORS OF RESISTANT ANDROGEN RECEPTOR AR, NR5A1, ESRRA AR 1/4885GABRP 396/4885GABRD 298/4885

“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.