SCHEMBL12156035

SCHEMBL12156035

O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 3/20 0.49
▸ ORAI1 Q96D31 3/20 0.49
▸ ORAI2 Q96SN7 1/20 0.44
▸ PTPN1 P18031 1/20 0.41
▸ DEGS1 O15121 3/20 0.41
▸ TRPV1 Q8NER1 2/20 0.39
▸ PTGS1 P23219 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GRM5 P41594 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL12241448 0.92 STIM1 (0.48) STIM1ORAI1ORAI2DEGS1NPC1
SCHEMBL17049821 0.89 DEGS1 (0.53) STIM1ORAI1ORAI2DEGS1TRPV1
SCHEMBL17805382 0.86 STIM1 (0.51) STIM1ORAI1ORAI2DEGS1NPC1
SCHEMBL12156032 0.86 STIM1 (0.51) STIM1ORAI1ORAI2DEGS1NPC1
SCHEMBL17049614 0.85 STIM1 (0.50) STIM1ORAI1ORAI2DEGS1TRPV1
SCHEMBL12241547 0.84 RAB9A (0.55) STIM1ORAI1ORAI2DEGS1NPC1
SCHEMBL12155519 0.83 STIM1 (0.57) STIM1ORAI1ORAI2DEGS1NPC1
SCHEMBL22509378 0.81 STIM1 (0.50) STIM1ORAI1ORAI2DEGS1NPC1
SCHEMBL12156036 0.81 STIM1 (0.64) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL12155462 0.80 STIM1 (0.52) STIM1ORAI1ORAI2TRPV1PTGS1

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-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 — — US disclosed
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 — — US disclosed
EP-2563776-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2016-06-08 — — EP disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 — — 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 (2 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-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885
US-20200317617-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.

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