SCHEMBL16018165

SCHEMBL16018165

Cc1cc2c(cc1-c1ccc(NC(=O)c3oncc3C)nc1)OC(F)(F)O2

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 6/20 0.53
▸ ORAI1 Q96D31 6/20 0.53
▸ ORAI2 Q96SN7 1/20 0.43
▸ SCN9A Q15858 1/20 0.41
▸ POLQ O75417 1/20 0.40
▸ IL2 P60568 1/20 0.39
▸ ABL1 P00519 5/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.36
▸ WNT3A P56704 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 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
SCHEMBL14881364 0.91 STIM1 (0.52) STIM1ORAI1ORAI2SCN9APOLQ
SCHEMBL16017281 0.88 STIM1 (0.44) STIM1ORAI1ORAI2SCN9APOLQ
SCHEMBL16018235 0.86 STIM1 (0.53) STIM1ORAI1ORAI2SCN9APOLQ
SCHEMBL16018187 0.85 STIM1 (0.54) STIM1ORAI1ORAI2SCN9APOLQ
SCHEMBL14885688 0.84 STIM1 (0.52) STIM1ORAI1ORAI2SCN9APOLQ
SCHEMBL16018189 0.84 STIM1 (0.52) STIM1ORAI1ORAI2SCN9APOLQ
SCHEMBL12155538 0.83 STIM1 (0.57) STIM1ORAI1ORAI2ABL1NPC1
SCHEMBL12241544 0.83 STIM1 (0.54) STIM1ORAI1ORAI2SCN9AABL1
SCHEMBL12155518 0.82 STIM1 (0.56) STIM1ORAI1ORAI2SCN9APOLQ
SCHEMBL16018223 0.81 STIM1 (0.51) STIM1ORAI1ORAI2SCN9APOLQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856240-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2018-01-02 — — US disclosed
US-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-09-11 — — US disclosed
US-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-09-11 — — 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-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885

“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