SCHEMBL16660700

SCHEMBL16660700

CCc1cc(NS(C)(=O)=O)c(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL17553807 0.79 KDM1A (0.42) JAK2JAK1TYK2JAK3KDM1A
SCHEMBL957457 0.79 KDM1A (0.43) BRD4KDM1AMAOATRPV1
Hydrochloric Acid SCHEMBL1996997 0.77 KDM1A (0.42) BRD4KDM1AMAOATRPV1
SCHEMBL16660692 0.77 BRD4 (0.44) BRD4KDM1AMAOA
SCHEMBL14068370 0.75 TRPV1 (0.53) TRPV1
SCHEMBL8194137 0.75 MAPT (0.47) KDM1AMAOA
SCHEMBL13869116 0.75 BRD4 (0.39) BRD4
SCHEMBL21994322 0.75 TRPV1 (0.39) BRD4TRPV1
SCHEMBL17553906 0.74 NR3C1 (0.38) JAK2JAK1TYK2JAK3KDM1A
SCHEMBL17553899 0.73 MAPT (0.44)

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-20150183784-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-07-02 US disclosed
US-9034900-B2 Bromodomain inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-05-19 US disclosed
US-20150111885-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-04-23 US 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-20150111885-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 BRD4 5/4885JAK2 2086/4885JAK1 2981/4885
US-20150183784-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 BRD4 5/4885JAK2 2086/4885JAK1 2981/4885

“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.