SCHEMBL21788396

SCHEMBL21788396

CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=S)N1c1ccc(C(=O)O)c(F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.65
AR P10275 18/20 0.63
GABRP O00591 1/20 0.63
GABRD O14764 1/20 0.63
NR1I2 O75469 1/20 0.63
NR3C1 P04150 1/20 0.63
PGR P06401 1/20 0.63
KLK3 P07288 1/20 0.63
GABRA1 P14867 1/20 0.63
GABRB1 P18505 1/20 0.63
GABRG2 P18507 1/20 0.63
CNR1 P21554 1/20 0.63
TBXA2R P21731 1/20 0.63
GABRB3 P28472 1/20 0.63
GABRA5 P31644 1/20 0.63
GABRA3 P34903 1/20 0.63
GABRA2 P47869 1/20 0.63
GABRB2 P47870 1/20 0.63
GABRA4 P48169 1/20 0.63
GABRE P78334 1/20 0.63

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
SCHEMBL21788384 0.91 AR (0.63) ABCG2ARGABRPGABRDNR1I2
SCHEMBL21788383 0.90 AR (0.67) ABCG2ARGABRPGABRDNR1I2
SCHEMBL10052166 0.89 ABCG2 (0.66) ABCG2ARGABRPGABRDNR1I2
SCHEMBL15506546 0.87 AR (0.66) ABCG2ARGABRPGABRDNR1I2
SCHEMBL189993 0.87 ABCG2 (0.85) ABCG2ARGABRPGABRDNR1I2
SCHEMBL26276099 0.86 ABCG2 (0.75) ABCG2ARGABRPGABRDNR1I2
SCHEMBL27373046 0.85 ABCG2 (0.59) ABCG2ARGABRPGABRDNR1I2
SCHEMBL17519964 0.83 AR (0.61) ABCG2ARGABRPGABRDNR1I2
SCHEMBL17940971 0.81 AR (0.66) ABCG2ARGABRPGABRDNR1I2
SCHEMBL19599865 0.81 AR (0.58) ABCG2ARGABRPGABRDNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3825308-B1 THIOHYDANTOIN COMPOUND, COMPOSITION, AND USE THEREOF AS ANDROGEN RECEPTOR ANTAGONISTS CHANGSHA ZEDA MEDICAL TECH CO LTD (CN) 2023-10-11 EP disclosed
EP-3825308-A1 COMPOUND, COMPOSITION, AND USE THEREOF IN PREPARATION OF DRUG Changsha Zeda Medical Tech. Co., Ltd (CN) 2021-05-26 EP disclosed
US-20210115014-A1 COMPOUND, COMPOSITION, AND USE THEREOF IN PREPARATION OF DRUG CHANGSHA ZEDA MEDICAL TECH. CO., LTD (CN) 2021-04-22 US disclosed
WO-2020042622-A1 COMPOUND, COMPOSITION, AND USE THEREOF IN PREPARATION OF DRUG 长沙泽达医药科技有限公司 2020-03-05 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 (1 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-20210115014-A1 COMPOUND, COMPOSITION, AND USE THEREOF IN PREPARATION OF DRUG AR, MC2R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ABCG2 69/4885AR 1/4885GABRP 2421/4885

“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.