SCHEMBL582695

SCHEMBL582695

CCCCNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 16/20 0.81
HDAC6 Q9UBN7 6/20 0.81
HDAC2 Q92769 6/20 0.81
HDAC3 O15379 5/20 0.81
HDAC1 Q13547 4/20 0.81
GABRP O00591 1/20 0.78
GABRD O14764 1/20 0.78
NR1I2 O75469 1/20 0.78
NR3C1 P04150 1/20 0.78
PGR P06401 1/20 0.78
KLK3 P07288 1/20 0.78
GABRA1 P14867 1/20 0.78
GABRB1 P18505 1/20 0.78
GABRG2 P18507 1/20 0.78
CNR1 P21554 1/20 0.78
TBXA2R P21731 1/20 0.78
GABRB3 P28472 1/20 0.78
GABRA5 P31644 1/20 0.78
GABRA3 P34903 1/20 0.78
GABRA2 P47869 1/20 0.78

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
SCHEMBL582006 0.95 AR (0.80) ARHDAC6HDAC2HDAC3HDAC1
SCHEMBL24684767 0.92 HDAC6 (0.84) ARHDAC6HDAC2HDAC3HDAC1
SCHEMBL22198004 0.92 AR (0.85) ARHDAC6HDAC2HDAC3HDAC1
SCHEMBL20465765 0.92 AR (0.83) ARHDAC6HDAC2HDAC3HDAC1
SCHEMBL30893444 0.92 HDAC6 (0.83) ARHDAC6HDAC2HDAC3HDAC1
SCHEMBL21727673 0.92 AR (0.69) ARHDAC6HDAC2HDAC3HDAC1
SCHEMBL23113295 0.91 HDAC6 (0.86) ARHDAC6HDAC2HDAC3HDAC1
SCHEMBL30872754 0.91 HDAC6 (0.86) ARHDAC6HDAC2HDAC3HDAC1
SCHEMBL24684762 0.91 AR (0.83) ARHDAC6HDAC2HDAC3HDAC1
SCHEMBL24684748 0.90 AR (0.82) ARHDAC6HDAC2HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210069154-A1 Treatment of Breast Cancer MEDIVATION PROSTATE THERAPEUTICS LLC 2021-03-11 US disclosed
EP-3610731-A1 TREATMENT OF BREAST CANCER Medivation Prostate Therapeutics LLC (US) 2020-02-19 EP disclosed
US-20190262315-A1 Treatment of Breast Cancer MEDIVATION PROSTATE THERAPEUTICS, INC. 2019-08-29 US disclosed
EP-3430907-A1 TREATMENT OF BREAST CANCER Medivation Prostate Therapeutics LLC (US) 2019-01-23 EP 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-20140296312-A1 TREATMENT OF BREAST CANCER THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2014-10-02 US disclosed
US-8710086-B2 Substituted di-arylhydantoin and di-arylthiohydantoin compounds and methods of use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2014-04-29 US disclosed
WO-2013066440-A9 TREATMENT OF BREAST CANCER MEDIVATION PROSTATE THERAPEUTICS, INC. (US) 2013-07-18 WO disclosed
WO-2013066440-A1 TREATMENT OF BREAST CANCER MEDIVATION PROSTATE THERAPEUTICS, INC. (US) 2013-05-10 WO disclosed
US-20120184580-A1 SUBSTITUTED DI-ARYLHYDANTOIN AND DI-ARYLTHIOHYDANTOIN COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION PROSTATE THERAPEUTICS, INC. (US) 2012-07-19 US disclosed
EP-2416657-A1 SUBSTITUTED DI-ARYLHYDANTOIN AND DI-ARYLTHIOHYDANTOIN COMPOUNDS AND METHODS FOR USE THEREOF Medivation Prostate Therapeutics, Inc. (US) 2012-02-15 EP disclosed
WO-2010118354-A1 SUBSTITUTED DI-ARYLHYDANTOIN AND DI-ARYLTHIOHYDANTOIN COMPOUNDS AND METHODS FOR USE THEREOF MEDIVATION PROSTATE THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
WO-2010118354-A1 SUBSTITUTED DI-ARYLHYDANTOIN AND DI-ARYLTHIOHYDANTOIN COMPOUNDS AND METHODS FOR USE THEREOF MEDIVATION PROSTATE THERAPEUTICS, INC. (US) 2010-10-14 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 (5 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-20120184580-A1 SUBSTITUTED DI-ARYLHYDANTOIN AND DI-ARYLTHIOHYDANTOIN COMPOUNDS AND METHODS OF USE THEREOF AR, BRDT, AADAC AR 1/4885HDAC6 1206/4885HDAC2 325/4885
US-20190262315-A1 Treatment of Breast Cancer BRCA1, TP53, TUBB6 AR 2403/4885HDAC6 1217/4885HDAC2 3547/4885
US-20170087132-A1 Treatment of Breast Cancer BRCA1, MKI67, BAX AR 2292/4885HDAC6 320/4885HDAC2 1837/4885
US-20140296312-A1 TREATMENT OF BREAST CANCER BRCA1, BAX, BAD AR 2166/4885HDAC6 541/4885HDAC2 2462/4885
US-20210069154-A1 Treatment of Breast Cancer BRCA1, TP53, TUBB6 AR 2403/4885HDAC6 1217/4885HDAC2 3547/4885

“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.