SCHEMBL1430355

SCHEMBL1430355

CCc1ccc(-c2cn(-c3cc(C(=O)O)ccc3F)nn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 5/20 0.48
ORAI1 Q96D31 5/20 0.48
S1PR1 P21453 1/20 0.47
P2RY14 Q15391 11/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSPO P30536 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
OPRD1 P41143 2/20 0.43
KCNH2 Q12809 2/20 0.43
ALDH1A1 P00352 1/20 0.42
LDHA P00338 1/20 0.41

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
SCHEMBL1429851 0.80 S1PR1 (0.55) STIM1ORAI1S1PR1P2RY14RAB9A
SCHEMBL1430767 0.80 P2RY14 (0.57) STIM1ORAI1S1PR1P2RY14TSPO
SCHEMBL1429953 0.79 STIM1 (0.62) STIM1ORAI1S1PR1P2RY14TSPO
SCHEMBL4032989 0.79 MIF (0.52) STIM1ORAI1P2RY14NPC1RAB9A
SCHEMBL26915300 0.78 P2RY14 (0.64) P2RY14TSPOTMEM97OPRD1KCNH2
SCHEMBL12420396 0.78 NOTUM (0.50) S1PR1NPC1RAB9A
SCHEMBL1429948 0.74 STIM1 (0.58) STIM1ORAI1S1PR1P2RY14TSPO
SCHEMBL13836542 0.72 ABCG2 (0.53) STIM1ORAI1P2RY14NPC1RAB9A
SCHEMBL13538921 0.71 S1PR1 (0.48) S1PR1P2RY14NPC1RAB9ASMN1; SMN2
SCHEMBL27808682 0.71 LDHA (0.52) STIM1ORAI1P2RY14NPC1RAB9A

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 15 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

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 1521/4885S1PR1 512/4885
US-20110172278-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS GRK2, GRK3, GPR3 STIM1 1019/4885ORAI1 1521/4885S1PR1 512/4885

“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.