SCHEMBL14218798

SCHEMBL14218798

CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(I)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 16/20 0.82
ABCG2 Q9UNQ0 1/20 0.67
HDAC1 Q13547 1/20 0.65
GABRP O00591 1/20 0.65
GABRD O14764 1/20 0.65
NR1I2 O75469 1/20 0.65
NR3C1 P04150 1/20 0.65
PGR P06401 1/20 0.65
KLK3 P07288 1/20 0.65
GABRA1 P14867 1/20 0.65
GABRB1 P18505 1/20 0.65
GABRG2 P18507 1/20 0.65
CNR1 P21554 1/20 0.65
TBXA2R P21731 1/20 0.65
GABRB3 P28472 1/20 0.65
GABRA5 P31644 1/20 0.65
GABRA3 P34903 1/20 0.65
GABRA2 P47869 1/20 0.65
GABRB2 P47870 1/20 0.65
GABRA4 P48169 1/20 0.65

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
SCHEMBL7035063 0.92 AR (0.87) ARABCG2HDAC1GABRPGABRD
SCHEMBL547391 0.90 AR (0.84) ARABCG2HDAC1GABRPGABRD
SCHEMBL1715956 0.90 AR (1.00) ARABCG2HDAC1GABRPGABRD
SCHEMBL1716086 0.90 AR (0.84) ARABCG2HDAC1GABRPGABRD
SCHEMBL29094457 0.89 AR (0.82) ARABCG2HDAC1GABRPGABRD
SCHEMBL1715463 0.89 AR (0.82) ARABCG2HDAC1GABRPGABRD
SCHEMBL1715951 0.89 AR (0.82) ARABCG2HDAC1GABRPGABRD
SCHEMBL2633007 0.88 AR (0.79) ARABCG2HDAC1GABRPGABRD
SCHEMBL15362807 0.88 AR (0.79) ARABCG2HDAC1GABRPGABRD
SCHEMBL21350025 0.88 AR (0.79) ARABCG2HDAC1GABRPGABRD

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023242598-A1 BIFUNCTIONAL MOLECULES FOR TARGETED PROTEIN DEGRADATION AMPHISTA THERAPEUTICS LIMITED (GB) 2023-12-21 WO disclosed
US-20210238145-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-08-05 US disclosed
US-20210069154-A1 Treatment of Breast Cancer MEDIVATION PROSTATE THERAPEUTICS LLC 2021-03-11 US disclosed
US-20190210974-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-07-11 US disclosed
US-20180086718-A1 Diarylhydantoin Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-03-29 US disclosed
US-20170087132-A1 Treatment of Breast Cancer MEDIVATION PROSTATE THERAPEUTICS LLC 2017-03-30 US disclosed
EP-3106162-A1 DIARYLHYDANTOIN COMPOUNDS AS ANDROGEN RECEPTOR ANTAGONISTS FOR TREATMENT OF CANCER The Regents of the University of California (US) 2016-12-21 EP disclosed
US-9517229-B2 Treatment of breast cancer MEDIVATION PROSTATE THERAPEUTICS, INC. (US) 2016-12-13 US disclosed
EP-3020706-A1 DIARYLTHIOHYDANTOIN COMPOUNDS USEFUL FOR THE TREATMENT OF A HYPERPROLIFERATIVE DISORDER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-05-18 EP disclosed
US-9126941-B2 Treatment of hyperproliferative disorders with diarylhydantoin compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-09-08 US disclosed
EP-2444085-B1 Diarylhydantoin compounds as androgen receptor antagonists for treatment of cancer UNIV CALIFORNIA (US) 2015-03-18 EP 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
WO-2013067142-A1 COMPOUNDS AND TREATMENT METHODS MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-10 WO disclosed
US-20130034501-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-02-07 US disclosed
WO-2007127010-A9 DIARYLTHIOHYDANTOIN COMPOUNDS UNIV CALIFORNIA (US) 2008-05-22 WO disclosed
US-20070254933-A1 Use against hormone refractory prostate cancer; 1-(3-trifluoromethyl-4-cyanophenyl)-2-thioxo-3-(substituted phenyl)-imidazolidin-5-one and spiro ring derivatives thereof; selective androgen receptor modulators; non-steroidal, non-toxic, and tissue selective REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-11-01 US disclosed
US-20070004753-A1 N-methyl-4-{4-[7-(4-cyano-3 -trifluoromethylphenyl)-6,8-dioxo-5,7-diazaspiro[3.4]oct-5-yl]-phenyl}butyramide; for treatment of hormone refractory prostate cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-01-04 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 (10 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-20070254933-A1 Use against hormone refractory prostate cancer; 1-(3-trifluoromethyl-4-cyanophenyl)-2-thioxo-3-(substituted phenyl)-imidazolidin-5-one and spiro ring derivatives thereof; selective androgen receptor modulators; non-steroidal, non-toxic, and tissue selective AR, NR5A1, SHBG AR 1/4885ABCG2 436/4885HDAC1 142/4885
US-20180086718-A1 Diarylhydantoin Compounds BPHL, AR, SHBG AR 2/4885ABCG2 3832/4885HDAC1 183/4885
US-20070004753-A1 N-methyl-4-{4-[7-(4-cyano-3 -trifluoromethylphenyl)-6,8-dioxo-5,7-diazaspiro[3.4]oct-5-yl]-phenyl}butyramide; for treatment of hormone refractory prostate cancer AR, BRDT, GNRHR AR 1/4885ABCG2 4136/4885HDAC1 176/4885
US-20190210974-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, AR, SHBG AR 2/4885ABCG2 3832/4885HDAC1 183/4885
US-20170087132-A1 Treatment of Breast Cancer BRCA1, MKI67, BAX AR 2292/4885ABCG2 3067/4885HDAC1 748/4885
US-20140296312-A1 TREATMENT OF BREAST CANCER BRCA1, BAX, BAD AR 2166/4885ABCG2 2587/4885HDAC1 1143/4885
US-20130034501-A1 DIARYLHYDANTOIN COMPOUNDS FAP, LEF1, LPXN AR 11/4885ABCG2 4017/4885HDAC1 54/4885
US-20210069154-A1 Treatment of Breast Cancer BRCA1, TP53, TUBB6 AR 2403/4885ABCG2 3583/4885HDAC1 2205/4885
US-20140343111-A1 DIARYLTHIOHYDANTOIN COMPOUNDS AR, SHBG, PTMS AR 1/4885ABCG2 4430/4885HDAC1 1091/4885
US-20210238145-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, AR, SHBG AR 2/4885ABCG2 3832/4885HDAC1 183/4885

“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.