SCHEMBL759111

SCHEMBL759111

O=C(N(c1ccn(Cc2ccc(OOCc3cccnc3)cc2C(F)(F)F)n1)c1c(F)cccc1F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.40
ORAI1 Q96D31 2/20 0.40
ORAI3 Q9BRQ5 1/20 0.40
MKNK1 Q9BUB5 3/20 0.33
MKNK2 Q9HBH9 3/20 0.33
EPHX2 P34913 2/20 0.33
PPARG P37231 2/20 0.33
CXCR3 P49682 1/20 0.33
VNN1 O95497 1/20 0.33
AR P10275 1/20 0.32
P2RX7 Q99572 2/20 0.31
NAMPT P43490 2/20 0.31
FAAH O00519 1/20 0.31
POLQ O75417 1/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
KLKB1 P03952 1/20 0.31
SLC6A5 Q9Y345 1/20 0.31

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
SCHEMBL3051682 0.92 STIM1 (0.41) STIM1ORAI1ORAI3PPARGCXCR3
SCHEMBL756041 0.84 STIM1 (0.42) STIM1ORAI1ORAI3MKNK1MKNK2
SCHEMBL756530 0.81 STIM1 (0.42) STIM1ORAI1ORAI3POLQ
Trifluoroacetic Acid SCHEMBL759110 0.80 STIM1 (0.62) STIM1ORAI1ORAI3MKNK1MKNK2
SCHEMBL7893481 0.73 STIM1 (0.67) STIM1ORAI1ORAI3
Trifluoroacetic Acid SCHEMBL3051681 0.72 STIM1 (0.63) STIM1ORAI1ORAI3
SCHEMBL757059 0.70 SMN1; SMN2 (0.35) P2RX7
SCHEMBL10241254 0.64 STIM1 (0.70) STIM1ORAI1ORAI3AR
Trifluoroacetic Acid SCHEMBL756040 0.63 STIM1 (0.66) STIM1ORAI1ORAI3AR
SCHEMBL30096587 0.63 STIM1 (0.73) STIM1ORAI1ORAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 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-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E STIM1 33/4885ORAI1 1/4885ORAI3 25/4885

“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.