SCHEMBL10201122

SCHEMBL10201122

Cc1nc2cc(Cl)c(-c3ccc(C(=O)Nc4c(F)cccc4F)s3)cc2o1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IL2 P60568 3/20 0.57
STIM1 Q13586 6/20 0.55
ORAI1 Q96D31 6/20 0.55
ESRRG P62508 5/20 0.44
S1PR4 O95977 2/20 0.43
S1PR2 O95136 1/20 0.43
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 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
SCHEMBL29642097 1.00 IL2 (0.57) IL2STIM1ORAI1ESRRGS1PR4
SCHEMBL10201120 0.89 STIM1 (0.53) IL2STIM1ORAI1ESRRGMAPT
SCHEMBL29642074 0.89 STIM1 (0.53) IL2STIM1ORAI1ESRRGMAPT
SCHEMBL29642114 0.84 STIM1 (0.63) IL2STIM1ORAI1ESRRGMAPT
SCHEMBL10201121 0.84 STIM1 (0.63) IL2STIM1ORAI1ESRRGMAPT
SCHEMBL721821 0.78 STIM1 (0.71) IL2STIM1ORAI1ESRRGS1PR4
SCHEMBL29642099 0.78 STIM1 (0.71) IL2STIM1ORAI1ESRRGS1PR4
SCHEMBL10201320 0.74 STIM1 (0.46) IL2STIM1ORAI1KDM4EMEN1
SCHEMBL5267400 0.73 IL2 (0.76) IL2STIM1ORAI1ESRRGS1PR4
SCHEMBL5267756 0.73 IL2 (0.79) IL2STIM1ORAI1ESRRGS1PR4

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 8 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-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
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 US disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 US 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 IL2 3716/4885STIM1 17/4885ORAI1 1/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 IL2 3716/4885STIM1 17/4885ORAI1 1/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 IL2 3716/4885STIM1 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.