SCHEMBL17014764

SCHEMBL17014764

FC(F)(F)c1cccc(-c2csc(N3CCOCC3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 1.00
RAB9A P51151 7/20 0.64
NPC1 O15118 6/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
CNR2 P34972 1/20 0.60
MAPT P10636 3/20 0.56
MAPK1 P28482 2/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 1/20 0.56
RAF1 P04049 1/20 0.56
BRAF P15056 1/20 0.56
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL27413115 0.88 AR (0.78) ARRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3767441 0.85 AR (0.74) ARRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3764390 0.81 AR (0.69) ARRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL24939659 0.81 AR (0.71) ARRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL18674614 0.81 AR (0.71) ARRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL18711771 0.81 AR (0.67) ARRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL6629014 0.80 AR (1.00) ARRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL18702033 0.79 AR (0.65) ARRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2554355 0.79 SMN1; SMN2 (0.72) ARRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL12288952 0.79 AR (0.65) ARRAB9ANPC1SMN1; SMN2MEN1

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 3 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
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 1/4885RAB9A 4667/4885NPC1 2934/4885
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE AR, FSHR, ESRRB AR 1/4885RAB9A 4089/4885NPC1 1960/4885

“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.