SCHEMBL3475244

SCHEMBL3475244

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.41
PPARD Q03181 3/20 0.38
NTRK1 P04629 2/20 0.37
PPARA Q07869 1/20 0.37
KCNH2 Q12809 1/20 0.37
GCGR P47871 1/20 0.36
ALOX5AP P20292 1/20 0.36

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
SCHEMBL3475811 0.89 GCGR (0.41) BRD4GCGR
SCHEMBL3474602 0.87 BRD4 (0.49) BRD4
SCHEMBL3434978 0.86 AAK1 (0.42) BRD4ALOX5AP
SCHEMBL3474513 0.81 SCD (0.44) BRD4GCGR
SCHEMBL3380569 0.81 FFAR4 (0.45) BRD4
SCHEMBL3376728 0.80 TDP2 (0.42) BRD4
SCHEMBL3476248 0.79 NR1D1 (0.41) BRD4
SCHEMBL3476109 0.79 BRD4 (0.47) BRD4
SCHEMBL3475796 0.78 TRPC5 (0.46) BRD4
SCHEMBL3375834 0.75 BRD4 (0.42) BRD4PPARDPPARAKCNH2GCGR

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 BRD4 268/4885PPARD 1537/4885NTRK1 2825/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 BRD4 268/4885PPARD 1537/4885NTRK1 2825/4885

“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.