SCHEMBL19051372

SCHEMBL19051372

COc1c(-c2csc(N3CCCCC3)n2)ccc(F)c1F

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 11/20 0.80
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ TP53 P04637 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ RAB9A P51151 5/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ NPC1 O15118 4/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL17009407 0.89 AR (1.00) ARSMN1; SMN2RAB9AALDH1A1MAPK1
SCHEMBL19051361 0.86 AR (0.61) ARSMN1; SMN2TP53ALOX15HSD17B10
SCHEMBL19051364 0.81 AR (0.79) ARSMN1; SMN2TP53ALOX15HSD17B10
SCHEMBL25942472 0.80 AR (0.54) ARSMN1; SMN2TP53ALOX15HSD17B10
SCHEMBL19051368 0.80 AR (0.80) ARSMN1; SMN2TP53ALOX15HSD17B10
SCHEMBL19051363 0.78 AR (0.80) ARSMN1; SMN2TP53ALOX15HSD17B10
SCHEMBL24053088 0.77 AR (0.79) ARSMN1; SMN2RAB9AALDH1A1MAPK1
SCHEMBL25942722 0.77 AR (0.78) ARSMN1; SMN2RAB9AALDH1A1MAPK1
SCHEMBL19051367 0.77 AR (0.57) ARSMN1; SMN2TP53ALOX15HSD17B10
SCHEMBL19051402 0.76 AR (0.61) ARSMN1; SMN2TP53ALOX15HSD17B10

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-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

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 1/4885SMN1; SMN2 4764/4885TP53 230/4885
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE AR, FSHR, ESRRB AR 1/4885SMN1; SMN2 4789/4885TP53 324/4885

“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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