SCHEMBL3476248

SCHEMBL3476248

CC(C)c1nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2n(CCNS(C)(=O)=O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 1/20 0.41
KIF11 P52732 1/20 0.39
BRD4 O60885 5/20 0.38
MCHR1 Q99705 2/20 0.37
LIPC P11150 2/20 0.37
LIPG Q9Y5X9 2/20 0.37
TRPV1 Q8NER1 1/20 0.37
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
SCD O00767 2/20 0.35
KDM5A P29375 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PLK1 P53350 1/20 0.35

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
SCHEMBL3474719 0.89 MCHR1 (0.42) NR1D1KIF11BRD4MCHR1TRPV1
SCHEMBL3434978 0.85 AAK1 (0.42) BRD4MCHR1SCN5AKDM5A
SCHEMBL3474513 0.84 SCD (0.44) BRD4TRPV1SCD
SCHEMBL3474602 0.84 BRD4 (0.49) BRD4SMN1; SMN2
SCHEMBL3475811 0.82 GCGR (0.41) BRD4
SCHEMBL3376728 0.80 TDP2 (0.42) BRD4MCHR1SCN5AKDM5ASMN1; SMN2
SCHEMBL3475244 0.79 BRD4 (0.41) BRD4
SCHEMBL3475796 0.77 TRPC5 (0.46) BRD4KDM5A
SCHEMBL3434810 0.77 SCD (0.46) SCD
SCHEMBL3476109 0.76 BRD4 (0.47) BRD4KDM5ASMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US claimed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US claimed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 US claimed
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 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-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 NR1D1 1481/4885KIF11 4605/4885BRD4 268/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 NR1D1 1481/4885KIF11 4605/4885BRD4 268/4885

“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.