SCHEMBL2585086

SCHEMBL2585086

Cc1nc2cc(Cl)c(-c3ccc(N(C=O)c4c(F)cccc4F)cc3)cc2o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RORC P51449 2/20 0.32
CFTR P13569 3/20 0.32
MAPT P10636 4/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
ELANE P08246 1/20 0.31
HSD17B10 Q99714 2/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
PTGES O14684 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 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
SCHEMBL2593587 0.91 GAA (0.33) GAAL3MBTL1ESR1ESR2PTGES
SCHEMBL1701197 0.86 GAA (0.33) GAAL3MBTL1CFTRMAPTKDM4E
SCHEMBL724532 0.81 GAA (0.31) GAAMAPTKDM4EMEN1THRB
SCHEMBL1701016 0.77 GAA (0.35) GAAL3MBTL1CFTRMAPTKDM4E
SCHEMBL1701645 0.76 MAPT (0.36) GAAL3MBTL1CFTRMAPTKDM4E
SCHEMBL12181702 0.74 IL2 (0.56) GAAMAPTKDM4EMEN1THRB
SCHEMBL767007 0.73 GAA (0.32) GAAL3MBTL1MAPTSMN1; SMN2TP53
SCHEMBL722987 0.72 GAA (0.31) GAAL3MBTL1MAPTSMN1; SMN2TP53
SCHEMBL2592415 0.70 GAA (0.45) GAAL3MBTL1MAPTKDM4EMEN1
SCHEMBL2592211 0.70 MAPT (0.64) MAPTKDM4EMEN1THRBKMT2A

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
EP-2563759-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2022-04-06 EP disclosed
US-9353099-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2016-05-31 US disclosed
US-20150361075-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-17 US disclosed
US-9090612-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-28 US disclosed
US-20140243366-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-08-28 US disclosed
US-8754219-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2014-06-17 US disclosed
US-20130203818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-08-08 US disclosed
EP-2563759-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2013-03-06 EP disclosed
WO-2011139765-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-11-10 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-20140243366-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 GAA 994/4885L3MBTL1 3943/4885RORC 1852/4885
US-20130203818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 GAA 994/4885L3MBTL1 3943/4885RORC 1852/4885
US-20150361075-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 GAA 994/4885L3MBTL1 3943/4885RORC 1852/4885

“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.