SCHEMBL1459964

SCHEMBL1459964

CCn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3ccc(OC)nc3C)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.36
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
USP1 O94782 1/20 0.34
SCN9A Q15858 5/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
CHEK1 O14757 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32

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
SCHEMBL1460013 0.88 MMP2 (0.39) MMP2MMP13MMP14PTGS1PTGS2
SCHEMBL1460192 0.85 LOXL2 (0.38) PTGDR2MMP2MMP13MMP14SCN9A
SCHEMBL1460105 0.79 LOXL2 (0.36) PTGDR2SCN9APTGS1PTGS2LOXL2
SCHEMBL1460270 0.79 MMP13 (0.43) PTGDR2MMP2MMP13MMP14SCN9A
SCHEMBL1460337 0.79 CLK2 (0.40) PTGDR2MMP2MMP13MMP14PTGS2
SCHEMBL1460041 0.77 CYP3A4 (0.37) PTGDR2MMP13SCN9A
SCHEMBL1460149 0.77 TRPA1 (0.37) PTGDR2SCN9A
SCHEMBL12826015 0.76 SCN9A (0.38) PTGDR2SCN9APTGS1PTGS2
SCHEMBL1460330 0.76 SCN9A (0.42) PTGDR2SCN9APTGS1PTGS2
SCHEMBL1459990 0.74 PTGS2 (0.39) PTGDR2SCN9APTGS1PTGS2CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 PTGDR2 397/4885MMP2 4541/4885MMP13 4585/4885

“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.