SCHEMBL1458951

SCHEMBL1458951

Fc1cccc(Cl)c1-c1cc2cc(-c3ccc(C(F)(F)F)cc3Cl)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 9/20 0.43
PTGS1 P23219 1/20 0.42
ORAI1 Q96D31 2/20 0.40
CYP2C9 P11712 1/20 0.38
FFAR1 O14842 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TNKS O95271 1/20 0.37
HPN P05981 1/20 0.37
GRM2 Q14416 1/20 0.37
TRPA1 O75762 2/20 0.37
HSD11B1 P28845 1/20 0.36
IL2 P60568 1/20 0.36

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
SCHEMBL1458883 0.95 PTGES (0.40) PTGESPTGS1ORAI1CYP2C9FFAR1
SCHEMBL1460941 0.91 PTGES (0.42) PTGESPTGS1ORAI1CYP2C9FFAR1
SCHEMBL1459541 0.83 TRPA1 (0.44) PTGESPTGS1CYP2C9FFAR1HPN
SCHEMBL1460846 0.83 HPN (0.39) PTGESPTGS1ORAI1CYP2C9FFAR1
SCHEMBL17351258 0.77 KDM4E (0.44) KDM4ENPSR1HPNGRM2
SCHEMBL12826265 0.77 TRPA1 (0.41) PTGESPTGS1ORAI1CYP2C9FFAR1
SCHEMBL1459563 0.76 KDM4E (0.48) PTGESORAI1KDM4E
SCHEMBL1459687 0.75 ORAI1 (0.52) PTGESORAI1CYP2C9KDM4E
SCHEMBL12825551 0.74 ORAI1 (0.52) PTGESORAI1CYP2C9FFAR1KDM4E
SCHEMBL1460252 0.74 ORAI1 (0.46) PTGESORAI1CYP2C9FFAR1

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
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP claimed
CN-102574788-A Indole derivatives as crac modulators HOFFMANN LA ROCHE 2012-07-11 CN claimed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO claimed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US claimed
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
CN-102574788-A Indole derivatives as crac modulators HOFFMANN LA ROCHE 2012-07-11 CN disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 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 (1 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E PTGES 963/4885PTGS1 656/4885ORAI1 1/4885

“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.