SCHEMBL1460084

SCHEMBL1460084

CN(C)S(=O)(=O)c1ccc(-c2ccc3[nH]c(-c4c(F)cccc4F)cc3c2)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 8/20 0.42
PGR P06401 4/20 0.42
S1PR1 P21453 1/20 0.38
TRPA1 O75762 2/20 0.38
AR P10275 2/20 0.35
KIF11 P52732 2/20 0.35

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
SCHEMBL1460085 0.89 KIF11 (0.42) NR3C1PGRS1PR1TRPA1AR
SCHEMBL1459739 0.81 ORAI1 (0.43)
SCHEMBL12826211 0.80 TRPA1 (0.38) NR3C1PGRS1PR1TRPA1
SCHEMBL1459541 0.80 TRPA1 (0.44) S1PR1TRPA1KIF11
SCHEMBL12825438 0.79 TRPA1 (0.39) S1PR1TRPA1
SCHEMBL1459665 0.79 KDM4E (0.46) S1PR1TRPA1
SCHEMBL1460941 0.73 PTGES (0.42) S1PR1TRPA1
SCHEMBL1460846 0.73 HPN (0.39) TRPA1KIF11
SCHEMBL28022855 0.72 RORC (0.46) NR3C1PGRKIF11
SCHEMBL15021948 0.71 TRPV3 (0.37)

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 6 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
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 NR3C1 1112/4885PGR 2155/4885S1PR1 430/4885

“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.