SCHEMBL17014765

SCHEMBL17014765

Fc1ccc(-c2csc(N3CCOCC3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 1.00
NPC1 O15118 6/20 1.00
RAB9A P51151 6/20 1.00
LMNA P02545 2/20 0.75
HTT P42858 1/20 0.75
SMN1; SMN2 Q16637 6/20 0.74
MAPK1 P28482 3/20 0.74
MAPT P10636 2/20 0.74
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
L3MBTL1 Q9Y468 3/20 0.72
ALDH1A1 P00352 1/20 0.61
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
GAA P10253 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58

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
SCHEMBL18674650 0.85 AR (0.74) ARNPC1RAB9ALMNAHTT
SCHEMBL12601866 0.85 AR (0.94) ARNPC1RAB9ALMNAHTT
SCHEMBL2560440 0.85 RAB9A (1.00) ARNPC1RAB9ALMNAHTT
SCHEMBL18674640 0.85 AR (0.74) ARNPC1RAB9ALMNAHTT
SCHEMBL3771969 0.85 L3MBTL1 (0.76) ARNPC1RAB9ALMNAHTT
SCHEMBL17009412 0.85 AR (1.00) ARNPC1RAB9ALMNAHTT
SCHEMBL6629014 0.85 AR (1.00) ARNPC1RAB9ALMNAHTT
SCHEMBL17014758 0.85 AR (0.73) ARNPC1RAB9ALMNAHTT
SCHEMBL18674629 0.84 AR (0.71) ARNPC1RAB9ALMNAHTT
SCHEMBL17014754 0.84 L3MBTL1 (1.00) ARNPC1RAB9ALMNAHTT

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 1/4885NPC1 2934/4885RAB9A 4667/4885
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.