SCHEMBL17014754

SCHEMBL17014754

Fc1ccc(-c2csc(N3CCSCC3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 1.00
AR P10275 4/20 1.00
RAB9A P51151 7/20 0.73
NPC1 O15118 5/20 0.72
MAPK1 P28482 4/20 0.64
SMN1; SMN2 Q16637 9/20 0.62
ALDH1A1 P00352 4/20 0.62
CYP1A2 P05177 3/20 0.60
CYP2C19 P33261 3/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2C9 P11712 2/20 0.60
GAA P10253 1/20 0.60
LMNA P02545 3/20 0.58
HTT P42858 2/20 0.58
MAPT P10636 3/20 0.57
TP53 P04637 1/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL3771969 0.86 L3MBTL1 (0.76) L3MBTL1ARRAB9ANPC1MAPK1
Hydrochloric Acid SCHEMBL3765827 0.85 L3MBTL1 (0.74) L3MBTL1ARRAB9ANPC1MAPK1
Hydrochloric Acid SCHEMBL3770523 0.85 L3MBTL1 (0.74) L3MBTL1ARRAB9ANPC1MAPK1
SCHEMBL17014725 0.84 RAB9A (1.00) L3MBTL1ARRAB9ANPC1MAPK1
SCHEMBL17014765 0.84 AR (1.00) L3MBTL1ARRAB9ANPC1MAPK1
SCHEMBL194798 0.84 L3MBTL1 (0.72) L3MBTL1ARRAB9ANPC1MAPK1
Hydrochloric Acid SCHEMBL3777109 0.82 L3MBTL1 (0.70) L3MBTL1ARRAB9ANPC1MAPK1
Hydrochloric Acid SCHEMBL3766425 0.82 L3MBTL1 (0.70) L3MBTL1ARRAB9ANPC1MAPK1
SCHEMBL3765693 0.79 LMNA (0.72) L3MBTL1ARRAB9ANPC1MAPK1
SCHEMBL17510152 0.79 RAB9A (0.67) L3MBTL1ARRAB9ANPC1MAPK1

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 L3MBTL1 3336/4885AR 1/4885RAB9A 4667/4885
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE AR, FSHR, ESRRB L3MBTL1 4081/4885AR 1/4885RAB9A 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.