SCHEMBL31476803

SCHEMBL31476803

CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(-c2ccc(OCCCO)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.67
PGR P06401 1/20 0.59
ABCG2 Q9UNQ0 1/20 0.58
HDAC3 O15379 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58

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
SCHEMBL22642216 0.97 AR (0.70) ARPGRABCG2HDAC3HDAC1
SCHEMBL26115570 0.95 AR (0.69) ARPGRABCG2HDAC3HDAC1
SCHEMBL15506537 0.95 AR (0.71) ARPGRABCG2HDAC3HDAC1
SCHEMBL17940985 0.93 AR (0.64) ARPGRABCG2HDAC3HDAC1
SCHEMBL26103724 0.93 AR (0.64) ARPGRABCG2HDAC3HDAC1
SCHEMBL26102143 0.93 AR (0.64) ARPGRABCG2HDAC3HDAC1
SCHEMBL17954406 0.92 AR (0.66) ARPGRABCG2HDAC3HDAC1
SCHEMBL17941040 0.90 AR (0.67) ARPGRABCG2HDAC3HDAC1
SCHEMBL19599671 0.90 AR (0.71) ARPGRABCG2HDAC1
SCHEMBL31476807 0.89 AR (0.66) ARPGRABCG2HDAC1

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-20250127908-A1 HETEROBIFUNCTIONAL CONDITIONAL INHIBITORS KOLM THERAPEUTICS INC. 2025-04-24 US disclosed
WO-2025081091-A1 HETEROBIFUNCTIONAL CONDITIONAL INHIBITORS KOLM THERAPEUTICS INC. (US) 2025-04-17 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-20250127908-A1 HETEROBIFUNCTIONAL CONDITIONAL INHIBITORS BRDT, NFKBIA, SSB AR 4330/4885PGR 3097/4885ABCG2 424/4885

“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.