Sugi Predict

Sugi Predict / Compounds / SCHEMBL10072713

SCHEMBL10072713

SCHEMBL10072713

Cc1cc(N2C(=S)N(c3ccc(O)cc3)C(C)(C)C2=NC(=O)OC(C)(C)C)ccc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 16/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ PGR P06401 2/20 0.37
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ NR3C1 P04150 1/20 0.37
▸ KLK3 P07288 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ TBXA2R P21731 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ GABRA4 P48169 1/20 0.37
▸ GABRE P78334 1/20 0.37

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
SCHEMBL14196479 0.94 AR (0.41) ARABCG2PGRGABRPGABRD
SCHEMBL7036062 0.90 AR (0.39) ARABCG2PGRGABRPGABRD
SCHEMBL14620450 0.89 AR (0.55) ARABCG2PGRGABRPGABRD
SCHEMBL16573290 0.89 AR (0.55) ARABCG2PGRGABRPGABRD
SCHEMBL11892362 0.84 AR (0.50) AR
SCHEMBL11893316 0.79 AR (0.50) ARABCG2PGRGABRPGABRD
SCHEMBL14389898 0.79 AR (0.54) ARABCG2PGRGABRPGABRD
SCHEMBL7034214 0.78 AR (0.59) ARABCG2PGRGABRPGABRD
SCHEMBL10045955 0.76 AR (0.67) AR
SCHEMBL7035078 0.76 AR (0.43) ARABCG2PGRGABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8110594-B2 Diarylthiohydantoin compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-07 — — US disclosed
US-20100210665-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-08-19 — — US disclosed
US-7709517-B2 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) 2010-05-04 — — 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 (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-20120295944-A1 TREATMENT OF HYPERPROLIFERATIVE DISORDERS WITH DIARYLHYDANTOIN COMPOUNDS CDK4, CCNH, VHL AR 113/4885ABCG2 4674/4885PGR 869/4885
US-20120190718-A1 DIARYLTHIOHYDANTOIN COMPOUNDS AR, SHBG, PTMS AR 1/4885ABCG2 4430/4885PGR 168/4885
US-20100210665-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, AR, SHBG AR 2/4885ABCG2 3832/4885PGR 404/4885

“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.