SCHEMBL3347817

SCHEMBL3347817

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.45
PPARG P37231 1/20 0.44
TRPC5 Q9UL62 4/20 0.43
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
TRPA1 O75762 1/20 0.42
CTSA P10619 1/20 0.41
PDE2A O00408 1/20 0.41
S1PR1 P21453 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
MAPK14 Q16539 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
PDE10A Q9Y233 1/20 0.40
DHODH Q02127 1/20 0.40

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
SCHEMBL3352916 0.91 ELANE (0.45) ELANEPPARGGABRG2GABRB3GABRA5
SCHEMBL3346267 0.88 PPARG (0.49) PPARGTRPC5GRIN1GRIN2BTRPA1
SCHEMBL3346444 0.86 PPARG (0.42) ELANEPPARGTRPC5GRIN1GRIN2B
SCHEMBL15147620 0.85 OGFRL1 (0.44) ELANEGRIN1GRIN2BPDE2AADORA3
SCHEMBL3474781 0.84 PDE10A (0.44) PPARGTRPC5GRIN1GRIN2BTRPA1
SCHEMBL15147594 0.83 TARBP2 (0.48) ADORA3MAPTGABRG2GABRB3GABRA5
SCHEMBL3433560 0.81 MAPK14 (0.46) PPARGTRPC5GRIN1GRIN2BTRPA1
SCHEMBL3345982 0.80 PPARD (0.42) ELANEPPARGCTSAMAPTTHRB
SCHEMBL3377951 0.80 MAPK14 (0.45) PPARGTRPC5GRIN1GRIN2BTRPA1
SCHEMBL3434956 0.80 ALDH1A1 (0.54) PPARGTRPC5GRIN1GRIN2BMAPK14

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 11 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-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-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
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 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 ELANE 2358/4885PPARG 1545/4885TRPC5 44/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 ELANE 2358/4885PPARG 1545/4885TRPC5 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.