SCHEMBL3473519

SCHEMBL3473519

CC(C)(C)c1nc2ccc(-c3cccc(OC(F)(F)F)c3)cc2n(CCCC(=O)O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
TRPC5 Q9UL62 7/20 0.43
MME P08473 1/20 0.40
DHODH Q02127 1/20 0.40
PPARG P37231 1/20 0.39
SLC13A5 Q86YT5 1/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
SERPINE1 P05121 1/20 0.38
BRD4 O60885 2/20 0.38
MAPK14 Q16539 1/20 0.37
MGLL Q99685 1/20 0.37

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
SCHEMBL3435117 0.95 FFAR1 (0.46) FFAR1FFAR4TRPC5MMEDHODH
SCHEMBL3473822 0.89 FFAR1 (0.43) FFAR1FFAR4DHODHSLC13A5SERPINE1
SCHEMBL3376765 0.88 TRPC5 (0.46) TRPC5DHODHPPARGGRIN1GRIN2B
SCHEMBL3475274 0.86 FFAR1 (0.43) FFAR1FFAR4TRPC5MMEDHODH
SCHEMBL3435928 0.85 GRIN1 (0.40) FFAR1FFAR4PPARGGRIN1GRIN2B
SCHEMBL3377379 0.85 BRD4 (0.48) TRPC5GRIN1GRIN2BBRD4MAPK14
SCHEMBL3473464 0.83 SCD (0.51) TRPC5GRIN1GRIN2BBRD4
SCHEMBL3347869 0.83 FFAR1 (0.47) FFAR1FFAR4TRPC5MMEDHODH
SCHEMBL3434891 0.83 FFAR4 (0.44) FFAR1FFAR4PPARG
SCHEMBL3473476 0.83 ALDH1A1 (0.41) FFAR1FFAR4TRPC5DHODHPPARG

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 FFAR1 283/4885FFAR4 363/4885TRPC5 44/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 FFAR1 283/4885FFAR4 363/4885TRPC5 44/4885

“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.