SCHEMBL12156307

SCHEMBL12156307

Cc1cc2c(cc1-c1ccc(NC(=O)C(C)C)nc1)CC(F)(F)C2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 7/20 0.53
▸ ALDH1A1 P00352 6/20 0.45
▸ RAB9A P51151 5/20 0.45
▸ STIM1 Q13586 1/20 0.43
▸ ORAI1 Q96D31 1/20 0.43
▸ NPC1 O15118 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAP4K1 Q92918 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ WNT3A P56704 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL12156321 0.87 ABL1 (0.44) ABL1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL12155669 0.87 STIM1 (0.54) ABL1ALDH1A1RAB9ASTIM1ORAI1
SCHEMBL12156308 0.83 MAP4K1 (0.41) ABL1ALDH1A1RAB9ASTIM1ORAI1
SCHEMBL12241729 0.83 ABL1 (0.48) ABL1ALDH1A1RAB9ASTIM1ORAI1
SCHEMBL12156318 0.82 NPC1 (0.57) ABL1ALDH1A1RAB9ASTIM1ORAI1
SCHEMBL12156304 0.81 IL2 (0.56) ABL1ALDH1A1RAB9ASTIM1ORAI1
SCHEMBL12156310 0.81 IL2 (0.47) ABL1ALDH1A1RAB9ASTIM1ORAI1
SCHEMBL12156303 0.80 NPC1 (0.58) ABL1ALDH1A1RAB9ASTIM1ORAI1
SCHEMBL12241637 0.77 ABL1 (0.47) ABL1ALDH1A1RAB9ASTIM1ORAI1
SCHEMBL12241630 0.77 ABL1 (0.47) ABL1ALDH1A1RAB9ASTIM1ORAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-11-12 — — US 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
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
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — US disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — 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 (3 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-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ABL1 4066/4885ALDH1A1 4409/4885RAB9A 1174/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 ABL1 4066/4885ALDH1A1 4409/4885RAB9A 1174/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ABL1 4066/4885ALDH1A1 4409/4885RAB9A 1174/4885

“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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