SCHEMBL12241630

SCHEMBL12241630

Cc1cc2c(cc1-c1ccc(NC(=O)C(C)C)nc1)OC(F)(F)CO2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 7/20 0.47
▸ STIM1 Q13586 2/20 0.44
▸ ORAI1 Q96D31 2/20 0.44
▸ RAB9A P51151 7/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ NPC1 O15118 6/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ TSHR P16473 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GSK3B P49841 1/20 0.36

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
SCHEMBL12241637 1.00 ABL1 (0.47) ABL1STIM1ORAI1RAB9AALDH1A1
SCHEMBL12155665 0.88 STIM1 (0.44) ABL1STIM1ORAI1RAB9ANPC1
SCHEMBL12155909 0.88 STIM1 (0.44) ABL1STIM1ORAI1RAB9ANPC1
SCHEMBL12241636 0.86 STIM1 (0.42) ABL1STIM1ORAI1RAB9AALDH1A1
SCHEMBL12241633 0.86 STIM1 (0.42) ABL1STIM1ORAI1RAB9AALDH1A1
SCHEMBL16572602 0.82 STIM1 (0.46) ABL1STIM1ORAI1RAB9AALDH1A1
SCHEMBL12241618 0.82 IL2 (0.54) ABL1STIM1ORAI1RAB9ANPC1
SCHEMBL12241621 0.82 IL2 (0.54) ABL1STIM1ORAI1RAB9ANPC1
SCHEMBL16572608 0.82 STIM1 (0.46) ABL1STIM1ORAI1RAB9AALDH1A1
SCHEMBL17805360 0.79 STIM1 (0.46) ABL1STIM1ORAI1

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 9 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
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
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 ABL1 4066/4885STIM1 17/4885ORAI1 1/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 ABL1 4066/4885STIM1 17/4885ORAI1 1/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ABL1 4066/4885STIM1 17/4885ORAI1 1/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ABL1 4066/4885STIM1 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.

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