SCHEMBL12434637

SCHEMBL12434637

O=C(Nc1scc(-c2ccoc2)c1C(=O)O)c1cc2ccccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.54
KMT2A Q03164 9/20 0.54
TP53 P04637 7/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
TSHR P16473 3/20 0.54
HSD17B10 Q99714 3/20 0.54
ALDH1A1 P00352 3/20 0.54
PKM P14618 2/20 0.54
USP2 O75604 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 9/20 0.49
NPC1 O15118 8/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
NLRP3 Q96P20 2/20 0.45
ANO1 Q5XXA6 1/20 0.45
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 2/20 0.44

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
SCHEMBL2181409 0.85 MEN1 (0.54) MEN1KMT2ATP53SMN1; SMN2TSHR
SCHEMBL1907084 0.84 MEN1 (0.58) MEN1KMT2ATP53SMN1; SMN2TSHR
SCHEMBL1953050 0.84 NPC1 (0.54) MEN1KMT2ATP53SMN1; SMN2TSHR
SCHEMBL1896010 0.84 MEN1 (0.53) MEN1KMT2ATP53SMN1; SMN2TSHR
SCHEMBL2182622 0.83 MEN1 (0.52) MEN1KMT2ATP53SMN1; SMN2TSHR
SCHEMBL1898325 0.82 MEN1 (0.51) MEN1KMT2ATP53SMN1; SMN2TSHR
SCHEMBL14692952 0.82 MEN1 (0.56) MEN1KMT2ATP53SMN1; SMN2TSHR
SCHEMBL12830490 0.82 NPC1 (0.49) MEN1KMT2ATP53SMN1; SMN2TSHR
SCHEMBL2182904 0.81 MEN1 (0.55) MEN1KMT2ATP53SMN1; SMN2TSHR
SCHEMBL2183781 0.81 SMN1; SMN2 (0.51) MEN1KMT2ATP53SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231344-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-05 US disclosed
US-8372991-B2 Trisubstituted thiophenes that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-02-12 US disclosed
US-7981925-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2011-07-19 US disclosed
US-7981925-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2011-07-19 US disclosed
US-20110166159-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-07-07 US disclosed
US-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-03-04 US disclosed
US-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-03-04 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 (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-20130231344-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885TP53 2681/4885
US-20110166159-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885TP53 2681/4885
US-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885TP53 2681/4885

“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.