SCHEMBL1430047

SCHEMBL1430047

CC(C)c1ccc(-n2cc(-c3cccc(C(=O)O)c3)nn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 11/20 0.65
ORAI1 Q96D31 11/20 0.65
LDHA P00338 2/20 0.58
KEAP1 Q14145 1/20 0.57
NFE2L2 Q16236 1/20 0.57
ESRRA P11474 3/20 0.57
TRPC1 P48995 3/20 0.56
TRPC3 Q13507 3/20 0.56
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA4 P22748 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
P2RY14 Q15391 1/20 0.54
HSD17B1 P14061 1/20 0.52
HSD17B2 P37059 1/20 0.52
STIM2 Q9P246 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
SCHEMBL2709787 0.89 STIM1 (0.62) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL26803794 0.86 STIM1 (0.69) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL26915272 0.86 P2RY14 (0.57) STIM1ORAI1ESRRAP2RY14
SCHEMBL182264 0.86 P2RY14 (0.57) STIM1ORAI1ESRRAP2RY14
SCHEMBL29946192 0.86 STIM1 (0.76) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL26628304 0.86 STIM1 (0.76) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL29946232 0.84 STIM1 (0.66) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL26628324 0.84 STIM1 (0.66) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL21122080 0.83 STIM1 (0.65) STIM1ORAI1LDHAKEAP1NFE2L2
SCHEMBL1429965 0.83 STIM1 (0.83) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130096165-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2013-04-18 US claimed
US-20110172278-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2011-07-14 US claimed
CN-102076670-A Compounds and methods for modulating g protein-coupled receptors IRM LLC 2011-05-25 CN 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
CN-102076670-B Compounds and methods for modulating g protein-coupled receptors IRM LLC 2013-05-22 CN disclosed
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
CN-102076670-A Compounds and methods for modulating g protein-coupled receptors IRM LLC 2011-05-25 CN 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.