SCHEMBL17014758

SCHEMBL17014758

Fc1ccc(-c2csc(N3CCOCC3)n2)cc1F

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.73
NPC1 O15118 5/20 0.73
RAB9A P51151 5/20 0.73
SMN1; SMN2 Q16637 4/20 0.69
MAPK1 P28482 3/20 0.69
MAPT P10636 2/20 0.69
LMNA P02545 2/20 0.69
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
HTT P42858 1/20 0.57
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55

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
SCHEMBL19051394 0.86 RAB9A (0.68) ARNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL17014765 0.85 AR (1.00) ARNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL2560440 0.82 RAB9A (1.00) ARNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL17014761 0.81 AR (1.00) ARNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL17014762 0.80 AR (0.77) ARNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL26457840 0.80 AR (0.81) ARNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL18674639 0.79 AR (0.65) ARNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL19051456 0.79 AR (0.65) ARNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL18674650 0.79 AR (0.74) ARNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL18674640 0.79 AR (0.74) ARNPC1RAB9ASMN1; SMN2MAPK1

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.