SCHEMBL3376265

SCHEMBL3376265

CC(C)(C)c1nc2ccc(-c3ccc(F)c(C(F)(F)F)c3)cc2n(CCC(=O)O)c1=O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 12/20 0.41
GRIN1 Q05586 4/20 0.41
BRD4 O60885 1/20 0.41
PIK3CA P42336 1/20 0.38
KMO O15229 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
SCHEMBL3403522 0.89 SCD (0.42) GRIN2BGRIN1BRD4PIK3CAKMO
SCHEMBL3473451 0.87 KMO (0.43) GRIN2BGRIN1BRD4KMO
SCHEMBL3473761 0.86 S1PR1 (0.41) BRD4KMO
SCHEMBL3350638 0.84 PIN1 (0.45) GRIN2BGRIN1KMO
SCHEMBL3475323 0.84 SCD (0.41) GRIN2BGRIN1BRD4PIK3CAKMO
SCHEMBL3350646 0.83 ALDH1A1 (0.42)
SCHEMBL3476098 0.82 GCGR (0.37) GRIN2BGRIN1BRD4
SCHEMBL3474846 0.82 PPARG (0.44) KMO
SCHEMBL15147639 0.81 PIN1 (0.43) GRIN2BGRIN1
SCHEMBL3435117 0.80 FFAR1 (0.46) GRIN2BGRIN1BRD4

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 GRIN2B 2067/4885GRIN1 1435/4885BRD4 268/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 GRIN2B 2067/4885GRIN1 1435/4885BRD4 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.