SCHEMBL17014740

SCHEMBL17014740

CNc1cc(F)c(OC)c(-c2csc(N3CCOCC3)n2)c1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 16/20 0.74
▸ ALDH1A1 P00352 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ RAF1 P04049 1/20 0.43
▸ BRAF P15056 1/20 0.43

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
SCHEMBL17009409 0.85 AR (1.00) ARALDH1A1GAAMAPK1NPC1
SCHEMBL17014770 0.82 AR (0.76) ARALDH1A1GAAMAPK1NPC1
SCHEMBL17014724 0.80 AR (0.76) ARALDH1A1GAAMAPK1NPC1
SCHEMBL17009407 0.78 AR (1.00) ARALDH1A1GAAMAPK1NPC1
SCHEMBL17009415 0.73 AR (1.00) ARALDH1A1GAAMAPK1NPC1
SCHEMBL19051368 0.73 AR (0.80) ARALDH1A1GAAMAPK1NPC1
SCHEMBL15799544 0.72 AR (0.54) ARALDH1A1GAAMAPK1NPC1
SCHEMBL17014762 0.71 AR (0.77) ARMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL19051367 0.71 AR (0.57) ARALDH1A1GAAMAPK1NPC1
SCHEMBL17636866 0.71 AR (0.54) ARALDH1A1GAAMAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-07-03 — — US disclosed
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-06-29 — — US disclosed
WO-2015120543-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAIN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-08-20 — — 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 (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-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use AR, SHBG, BRCA1 AR 1/4885ALDH1A1 1480/4885GAA 4189/4885
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE AR, FSHR, ESRRB AR 1/4885ALDH1A1 2525/4885GAA 4557/4885

“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.

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