SCHEMBL3476098

SCHEMBL3476098

CC(C)(C)c1nc2ccc(-c3cccc(C(F)(F)F)c3Cl)cc2n(CCC(=O)O)c1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.37
P2RX3 P56373 2/20 0.37
GSTM2 P28161 1/20 0.36
PIN1 Q13526 2/20 0.35
TRPA1 O75762 1/20 0.35
SCD O00767 1/20 0.35
PDE10A Q9Y233 1/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
EIF4E P06730 1/20 0.35
CMA1 P23946 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
PPARG P37231 2/20 0.35
BRD4 O60885 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
SCHEMBL3403522 0.85 SCD (0.42) TRPA1SCDGRIN1GRIN2BBRD4
SCHEMBL3474561 0.83 KMO (0.41) GCGRP2RX3PIN1SCD
SCHEMBL3376265 0.82 GRIN2B (0.41) GRIN1GRIN2BBRD4
SCHEMBL3350638 0.82 PIN1 (0.45) PIN1SCDGRIN1GRIN2B
SCHEMBL3474846 0.82 PPARG (0.44) P2RX3PPARG
SCHEMBL3473451 0.81 KMO (0.43) GCGRP2RX3PIN1SCDGRIN1
SCHEMBL3350646 0.81 ALDH1A1 (0.42) PIN1
SCHEMBL3473761 0.80 S1PR1 (0.41) PIN1SCDBRD4
SCHEMBL3475323 0.80 SCD (0.41) TRPA1SCDGRIN1GRIN2BBRD4
SCHEMBL15147639 0.79 PIN1 (0.43) PIN1GRIN1GRIN2B

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 GCGR 131/4885P2RX3 143/4885GSTM2 4835/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 GCGR 131/4885P2RX3 143/4885GSTM2 4835/4885

“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.