SCHEMBL1701196

SCHEMBL1701196

Cc1cc2c(cc1-c1ccc(N(C=O)c3c(F)cccc3F)nc1)CCO2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 3/20 0.45
ORAI1 Q96D31 3/20 0.45
ERN1 O75460 3/20 0.39
FABP4 P15090 3/20 0.34
FABP3 P05413 2/20 0.33
EED O75530 1/20 0.33
SUZ12 Q15022 1/20 0.33
EZH2 Q15910 1/20 0.33
PIK3CA P42336 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
POLQ O75417 1/20 0.32
IL2 P60568 1/20 0.32
CNR2 P34972 1/20 0.31
NPC1 O15118 1/20 0.31
CLK1 P49759 1/20 0.31
RAB9A P51151 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL2547339 0.90 STIM1 (0.55) STIM1ORAI1IL2CNR2NPC1
SCHEMBL1701270 0.89 ERN1 (0.38) STIM1ORAI1ERN1FABP4FABP3
SCHEMBL1701452 0.89 STIM1 (0.42) STIM1ORAI1ERN1FABP4FABP3
SCHEMBL1701214 0.87 STIM1 (0.38) STIM1ORAI1ERN1FABP4FABP3
SCHEMBL1701312 0.87 ERN1 (0.38) STIM1ORAI1ERN1EEDSUZ12
SCHEMBL1701885 0.87 STIM1 (0.34) STIM1ORAI1ERN1IL2
SCHEMBL1701893 0.82 PIK3CA (0.41) FABP4FABP3PIK3CA
SCHEMBL1701032 0.81 STIM1 (0.41) STIM1ORAI1IL2
SCHEMBL1701086 0.78 STIM1 (0.35) STIM1ORAI1ERN1
SCHEMBL1701170 0.77 STIM1 (0.32) STIM1ORAI1ERN1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11905248-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2024-02-20 US disclosed
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-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 US disclosed
US-20130345193-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-12-26 US disclosed
US-20130345240-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-12-26 US disclosed
US-8546403-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-10-01 US disclosed
EP-2563776-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2013-03-06 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 STIM1 17/4885ORAI1 1/4885ERN1 1439/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ERN1 1439/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ERN1 1439/4885
US-20130345193-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ERN1 1439/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ERN1 1439/4885
US-11905248-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ERN1 1439/4885
US-20130345240-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ERN1 1439/4885

“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.