SCHEMBL17014756

SCHEMBL17014756

CCc1sc(N2CCOCC2)nc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 1.00
CETP P11597 1/20 0.63
ALDH1A1 P00352 9/20 0.61
ALOX5 P09917 2/20 0.57
GAA P10253 2/20 0.54
HPGD P15428 1/20 0.54
PTGS2 P35354 1/20 0.52
MAPT P10636 1/20 0.51
HTT P42858 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL19051399 0.86 AR (0.76) ARCETPALDH1A1ALOX5GAA
SCHEMBL3765768 0.84 AR (0.72) ARCETPALDH1A1ALOX5HPGD
SCHEMBL17009411 0.82 AR (1.00) ARCETPALDH1A1ALOX5GAA
SCHEMBL3768315 0.81 AR (0.67) ARALDH1A1ALOX5HPGDMAPT
SCHEMBL8056967 0.80 AR (0.72) ARCETPALDH1A1ALOX5GAA
SCHEMBL1304512 0.78 CETP (0.74) ARCETPALDH1A1ALOX5GAA
SCHEMBL1304150 0.78 CETP (1.00) ARCETPALDH1A1ALOX5GAA
SCHEMBL8823050 0.76 ALDH1A1 (0.79) ARALDH1A1ALOX5GAAHPGD
SCHEMBL8419989 0.76 AR (0.65) ARCETPALDH1A1ALOX5GAA
SCHEMBL7062983 0.76 ALDH1A1 (1.00) ARALDH1A1ALOX5GAAHPGD

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 5 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-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
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 1/4885CETP 3198/4885ALDH1A1 1480/4885
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE AR, FSHR, ESRRB AR 1/4885CETP 3211/4885ALDH1A1 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.