SCHEMBL1429965

SCHEMBL1429965

COc1ccc(-n2cc(-c3cccc(C(=O)O)c3)nn2)cc1

nearest known ligand 0.83

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 11/20 0.83
ORAI1 Q96D31 11/20 0.83
LDHA P00338 1/20 0.58
KEAP1 Q14145 2/20 0.57
NFE2L2 Q16236 2/20 0.57
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA4 P22748 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
PTGS2 P35354 2/20 0.55
PTGS1 P23219 1/20 0.55
TRPC1 P48995 2/20 0.54
TRPC3 Q13507 2/20 0.54
CA5A P35218 1/20 0.54
CA5B Q9Y2D0 1/20 0.54
STIM2 Q9P246 1/20 0.54
SNCA P37840 1/20 0.53
CYP1B1 Q16678 1/20 0.52

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
SCHEMBL22834278 0.94 STIM1 (0.74) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL29946160 0.91 STIM1 (1.00) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL26628329 0.91 STIM1 (1.00) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL29946124 0.91 STIM1 (1.00) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL26628325 0.91 STIM1 (1.00) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL1430051 0.89 STIM1 (0.80) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL181689 0.89 STIM1 (0.85) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL29946140 0.88 STIM1 (0.77) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL26628278 0.88 STIM1 (0.77) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL29946082 0.88 STIM1 (0.85) STIM1ORAI1LDHAKEAP1NFE2L2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172278-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2011-07-14 US claimed
EP-2300442-A2 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2011-03-30 EP claimed
WO-2010008831-A2 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2010-01-21 WO claimed
US-20130096165-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2013-04-18 US disclosed
US-20130096165-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2013-04-18 US disclosed
US-8362050-B2 Compounds and methods for modulating G protein-coupled receptors IRM LLC (BM) 2013-01-29 US disclosed
US-8362050-B2 Compounds and methods for modulating G protein-coupled receptors IRM LLC (BM) 2013-01-29 US disclosed
US-20110172278-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2011-07-14 US disclosed
US-20110172278-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2011-07-14 US disclosed
EP-2300442-A2 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2011-03-30 EP disclosed
WO-2010008831-A2 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2010-01-21 WO disclosed
WO-2010008831-A2 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2010-01-21 WO 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-20130096165-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS GRK2, GRK3, GPR3 STIM1 1019/4885ORAI1 1521/4885LDHA 4710/4885
US-20110172278-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS GRK2, GRK3, GPR3 STIM1 1019/4885ORAI1 1521/4885LDHA 4710/4885

“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.