SCHEMBL14887381

SCHEMBL14887381

Cc1cc2c(cc1-c1ccc(NC(=O)c3c(F)cccc3F)cc1)OC(F)(F)O2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 12/20 0.56
▸ STIM1 Q13586 3/20 0.53
▸ ORAI1 Q96D31 3/20 0.53
▸ ORAI2 Q96SN7 1/20 0.52
▸ TNF P01375 1/20 0.48
▸ SCN9A Q15858 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL14887333 0.89 STIM1 (0.48) IL2STIM1ORAI1ORAI2TNF
SCHEMBL14881301 0.88 MEN1 (0.53) IL2STIM1ORAI1SCN9ANPC1
SCHEMBL14881425 0.88 STIM1 (0.51) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL16017211 0.87 RAB9A (0.50) STIM1ORAI1NPC1TP53RAB9A
SCHEMBL29505146 0.86 IL2 (0.59) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL2596001 0.86 IL2 (0.59) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL1701956 0.86 STIM1 (0.66) IL2STIM1ORAI1ORAI2SCN9A
SCHEMBL14150380 0.84 STIM1 (0.59) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL14887561 0.84 STIM1 (0.56) IL2STIM1ORAI1ORAI2SCN9A
SCHEMBL16017274 0.83 NPC1 (0.50) IL2STIM1ORAI1ORAI2SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 — — US disclosed
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 — — US disclosed
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 — — US disclosed
WO-2013059666-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-04-25 — — 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 (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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 IL2 3716/4885STIM1 17/4885ORAI1 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.

Send feedback