Sugi Predict

Sugi Predict / Compounds / SCHEMBL20465765

SCHEMBL20465765

SCHEMBL20465765

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

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 16/20 0.83
▸ GABRP O00591 1/20 0.83
▸ GABRD O14764 1/20 0.83
▸ NR1I2 O75469 1/20 0.83
▸ NR3C1 P04150 1/20 0.83
▸ PGR P06401 1/20 0.83
▸ KLK3 P07288 1/20 0.83
▸ GABRA1 P14867 1/20 0.83
▸ GABRB1 P18505 1/20 0.83
▸ GABRG2 P18507 1/20 0.83
▸ CNR1 P21554 1/20 0.83
▸ TBXA2R P21731 1/20 0.83
▸ GABRB3 P28472 1/20 0.83
▸ GABRA5 P31644 1/20 0.83
▸ GABRA3 P34903 1/20 0.83
▸ GABRA2 P47869 1/20 0.83
▸ GABRB2 P47870 1/20 0.83
▸ GABRA4 P48169 1/20 0.83
▸ GABRE P78334 1/20 0.83
▸ GABRA6 Q16445 1/20 0.83

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 0.94 AR (0.80) ARGABRPGABRDNR1I2NR3C1
SCHEMBL23378335 0.93 AR (0.81) ARGABRPGABRDNR1I2NR3C1
SCHEMBL582695 0.92 AR (0.81) ARGABRPGABRDNR1I2NR3C1
SCHEMBL22101217 0.92 AR (0.70) ARGABRPGABRDNR1I2NR3C1
Enzalutamide SCHEMBL29352764 0.91 AR (1.00) ARGABRPGABRDNR1I2NR3C1
SCHEMBL21788386 0.91 AR (0.87) ARGABRPGABRDNR1I2NR3C1
Enzalutamide SCHEMBL189749 0.91 AR (1.00) ARGABRPGABRDNR1I2NR3C1
SCHEMBL23378228 0.90 AR (0.85) ARGABRPGABRDNR1I2NR3C1
SCHEMBL581352 0.89 AR (0.84) ARGABRPGABRDNR1I2NR3C1
SCHEMBL22198004 0.89 AR (0.85) ARGABRPGABRDNR1I2NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11826430-B2 Anti-cancer nuclear hormone receptor-targeting compounds NUVATION BIO INC. (US) 2023-11-28 — — US disclosed
US-20180222869-A1 ANTICANCER DRUGS INCLUDING THE CHEMICAL STRUCTURES OF AN ANDROGEN RECEPTOR LIGAND AND A HISTONE DEACETYLASE INHIBITOR UNITED STATES GOVERNMENT 2018-08-09 — — 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 (2 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-20180222869-A1 ANTICANCER DRUGS INCLUDING THE CHEMICAL STRUCTURES OF AN ANDROGEN RECEPTOR LIGAND AND A HISTONE DEACETYLASE INHIBITOR AR, HDAC1, HDAC11 AR 1/4885GABRP 2271/4885GABRD 2436/4885
US-11826430-B2 Anti-cancer nuclear hormone receptor-targeting compounds NCOA1, NCOR1, NCOA3 AR 9/4885GABRP 766/4885GABRD 614/4885

“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.