SCHEMBL17014772

SCHEMBL17014772

COCCOc1c(F)cccc1-c1csc(N2CCOCC2)n1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 17/20 0.62
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL17014743 0.90 AR (0.60) ARNPC1RAB9AALDH1A1GAA
SCHEMBL19051371 0.90 AR (0.50) ARNPC1RAB9ASMN1; SMN2
SCHEMBL17014724 0.87 AR (0.76) ARNPC1RAB9AALDH1A1GAA
SCHEMBL19051370 0.80 AR (0.48) ARNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL25649389 0.79 AR (0.74) ARNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL17014763 0.79 AR (0.77) ARNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL22291226 0.77 AR (0.73) ARNPC1RAB9AALDH1A1GAA
SCHEMBL17009410 0.77 AR (1.00) ARNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL26458197 0.76 AR (0.75) ARNPC1RAB9AALDH1A1GAA
SCHEMBL17009407 0.76 AR (1.00) ARNPC1RAB9AALDH1A1GAA

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-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 (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-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE AR, FSHR, ESRRB AR 1/4885NPC1 1960/4885RAB9A 4089/4885

“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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