SCHEMBL12155934

SCHEMBL12155934

Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3Cl)nc1)OC(F)(F)C(F)(F)O2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.48
▸ NPC1 O15118 6/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ TP53 P04637 4/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ IL2 P60568 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ STIM1 Q13586 2/20 0.46
▸ ORAI1 Q96D31 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ PTBP1 P26599 1/20 0.46
▸ DYRK1A Q13627 2/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ABL1 P00519 1/20 0.44

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
SCHEMBL1702582 0.94 STIM1 (0.53) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL12156047 0.87 RAB9A (0.46) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL12155912 0.87 IL2 (0.57) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL12155503 0.87 RAB9A (0.52) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL12155914 0.85 RAB9A (0.47) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL12241574 0.85 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL1702332 0.84 STIM1 (0.56) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL12155518 0.84 STIM1 (0.56) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL1701825 0.82 STIM1 (0.62) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL12241670 0.82 IL2 (0.47) RAB9ANPC1SMN1; SMN2TP53ALDH1A1

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 11 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-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 (4 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 RAB9A 1174/4885NPC1 262/4885SMN1; SMN2 854/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885SMN1; SMN2 854/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885SMN1; SMN2 854/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885SMN1; SMN2 854/4885

“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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