SCHEMBL1892149

SCHEMBL1892149

COc1cccc(-c2csc(NC(=O)c3c(F)cc(OC)c(F)c3F)c2C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.56
KMT2A Q03164 10/20 0.56
NPC1 O15118 2/20 0.56
PKM P14618 2/20 0.55
MAPT P10636 5/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ALDH1A1 P00352 2/20 0.52
PTPN1 P18031 1/20 0.52
ANO1 Q5XXA6 3/20 0.49
PRNP P04156 2/20 0.48
ATM Q13315 1/20 0.48
TNF P01375 1/20 0.48
NOD2 Q9HC29 1/20 0.48
NOD1 Q9Y239 1/20 0.48
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RAB9A P51151 1/20 0.47
NLRP3 Q96P20 1/20 0.47
GRIN2C Q14957 1/20 0.47

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
SCHEMBL1952923 0.91 MEN1 (0.56) MEN1KMT2ANPC1PKMMAPT
SCHEMBL1893999 0.90 MEN1 (0.55) MEN1KMT2ANPC1PKMMAPT
SCHEMBL1907590 0.90 MEN1 (0.55) MEN1KMT2ANPC1PKMMAPT
SCHEMBL1951849 0.90 ANO1 (0.54) MEN1KMT2ANPC1PKMMAPT
SCHEMBL1896535 0.90 MEN1 (0.54) MEN1KMT2ANPC1PKMMAPT
SCHEMBL1951956 0.89 MEN1 (0.67) MEN1KMT2ANPC1PKMMAPT
SCHEMBL1906726 0.86 MEN1 (0.59) MEN1KMT2ANPC1PKMMAPT
SCHEMBL1891596 0.85 MEN1 (0.67) MEN1KMT2ANPC1PKMMAPT
SCHEMBL1897863 0.84 MEN1 (0.67) MEN1KMT2ANPC1PKMMAPT
SCHEMBL1897794 0.84 ANO1 (0.57) MEN1KMT2ANPC1PKMMAPT

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-20130245025-A1 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-09-19 US disclosed
US-8394848-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-03-12 US disclosed
US-8383670-B2 Trisubstituted thiophenes that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-02-26 US disclosed
US-20110212970-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-09-01 US disclosed
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-06-09 US disclosed
EP-2321303-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2011-05-18 EP disclosed
US-7906553-B2 Substituted thiophene modulators of intracellular calcium CALCIMEDICA, INC. (US) 2011-03-15 US disclosed
US-20100261725-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-10-14 US disclosed
WO-2010027875-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2010-03-11 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 (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-20100261725-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885NPC1 262/4885
US-20110212970-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885NPC1 262/4885
US-20130245025-A1 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885NPC1 262/4885
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885NPC1 262/4885

“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.