SCHEMBL3435928

SCHEMBL3435928

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.40
GRIN2B Q13224 3/20 0.40
FFAR4 Q5NUL3 2/20 0.39
RORC P51449 4/20 0.37
DRD1 P21728 1/20 0.37
PPARG P37231 1/20 0.37
PIN1 Q13526 2/20 0.36
HCRTR1 O43613 1/20 0.36
MAPK1 P28482 1/20 0.36
LIPC P11150 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
FFAR1 O14842 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
SCHEMBL3435117 0.91 FFAR1 (0.46) GRIN1GRIN2BFFAR4PPARGFFAR1
SCHEMBL3434891 0.89 FFAR4 (0.44) FFAR4PPARGPIN1HCRTR1FFAR1
SCHEMBL3350646 0.86 ALDH1A1 (0.42) PIN1
SCHEMBL3473519 0.85 FFAR1 (0.44) GRIN1GRIN2BFFAR4PPARGFFAR1
SCHEMBL3346223 0.85 PIN1 (0.46) FFAR4PPARGPIN1HCRTR1FFAR1
SCHEMBL15147639 0.84 PIN1 (0.43) GRIN1GRIN2BPIN1HCRTR1
SCHEMBL3350638 0.84 PIN1 (0.45) GRIN1GRIN2BPIN1
SCHEMBL3474846 0.84 PPARG (0.44) PPARG
SCHEMBL3475274 0.82 FFAR1 (0.43) GRIN1GRIN2BFFAR4PPARGPIN1
SCHEMBL3473822 0.81 FFAR1 (0.43) FFAR4FFAR1

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 7 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
WO-2010053757-A1 2 -OXOQUINOXALIN BLOCKERS OF THE LATE SODIUM CHANNEL GILEAD PALO ALTO, INC. (US) 2010-05-14 WO 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 GRIN1 1435/4885GRIN2B 2067/4885FFAR4 363/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 GRIN1 1435/4885GRIN2B 2067/4885FFAR4 363/4885

“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.