SCHEMBL721713

SCHEMBL721713

CC(C)n1nc(C(F)(F)F)cc1-c1cnc(N(C=O)c2ccccc2Cl)s1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.41
ORAI1 Q96D31 2/20 0.41
RXRA P19793 3/20 0.35
NR1H2 P55055 3/20 0.35
NR1H3 Q13133 3/20 0.35
PTGS2 P35354 2/20 0.32
PTGS1 P23219 1/20 0.32
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
P2RY1 P47900 1/20 0.30
RORC P51449 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
LIMK1 P53667 1/20 0.30
LIMK2 P53671 1/20 0.30

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
SCHEMBL721476 0.89 STIM1 (0.47) STIM1ORAI1RXRANR1H2NR1H3
SCHEMBL721171 0.86 STIM1 (0.56) STIM1ORAI1RXRANR1H2NR1H3
SCHEMBL14163289 0.79 STIM1 (0.44) STIM1ORAI1PTGS2PTGS1NPC1
SCHEMBL721462 0.74 STIM1 (0.39) STIM1ORAI1RXRANR1H2NR1H3
SCHEMBL10201040 0.72 STIM1 (0.75) STIM1ORAI1NPC1RAB9AKDM4E
SCHEMBL721295 0.71 STIM1 (0.45) STIM1ORAI1PTGS2PTGS1NPC1
SCHEMBL720446 0.69 STIM1 (0.42) STIM1ORAI1PTGS2PTGS1NPC1
SCHEMBL724417 0.69 STIM1 (0.44) STIM1ORAI1
SCHEMBL14158727 0.68 STIM1 (0.48) STIM1ORAI1PTGS2PTGS1NPC1
SCHEMBL29642094 0.67 KDR (0.31) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336738-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2019-07-02 US disclosed
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-03 US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 US disclosed
EP-2609095-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2013-07-03 EP disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 US disclosed
WO-2012027710-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2012-03-01 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 (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-10336738-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885RXRA 3701/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885RXRA 3701/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885RXRA 3701/4885

“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.