SCHEMBL17014770

SCHEMBL17014770

COc1c(F)cc(CO)cc1-c1csc(N2CCOCC2)n1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 16/20 0.76
▸ MAPK1 P28482 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ MAPT P10636 1/20 0.49

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 0.86 AR (1.00) ARMAPK1ALDH1A1GAANPC1
SCHEMBL17014740 0.82 AR (0.74) ARMAPK1ALDH1A1GAANPC1
SCHEMBL17014724 0.79 AR (0.76) ARMAPK1ALDH1A1GAANPC1
SCHEMBL19051367 0.79 AR (0.57) ARMAPK1ALDH1A1GAANPC1
SCHEMBL17009407 0.77 AR (1.00) ARMAPK1ALDH1A1GAANPC1
SCHEMBL19051368 0.75 AR (0.80) ARMAPK1ALDH1A1GAANPC1
SCHEMBL17009415 0.73 AR (1.00) ARMAPK1ALDH1A1GAANPC1
SCHEMBL24053088 0.70 AR (0.79) ARMAPK1ALDH1A1GAANPC1
SCHEMBL17009418 0.70 AR (1.00) ARMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL17014762 0.70 AR (0.77) ARMAPK1NPC1RAB9ASMN1; SMN2

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 1/4885MAPK1 3165/4885ALDH1A1 1480/4885
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE AR, FSHR, ESRRB AR 1/4885MAPK1 3915/4885ALDH1A1 2525/4885

“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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