SCHEMBL2183545

SCHEMBL2183545

Cc1ccc(-c2csc(NC(=O)c3cc4ccccc4o3)c2C(=O)O)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.52
KMT2A Q03164 8/20 0.52
RAB9A P51151 13/20 0.51
NPC1 O15118 13/20 0.51
TP53 P04637 6/20 0.50
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
SMN1; SMN2 Q16637 7/20 0.48
PKM P14618 3/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 3/20 0.46
TSHR P16473 2/20 0.46
USP2 O75604 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 5/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 5/20 0.46

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
SCHEMBL12414423 0.92 RAB9A (0.51) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL2181488 0.89 RAB9A (0.47) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL1952409 0.89 MEN1 (0.51) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL14692950 0.87 RAB9A (0.46) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL1898450 0.84 MEN1 (0.50) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL1951399 0.84 RAB9A (0.54) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL1907052 0.84 RAB9A (0.54) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL1952332 0.83 MEN1 (0.49) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL12830443 0.83 RAB9A (0.55) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL1953050 0.83 NPC1 (0.54) MEN1KMT2ARAB9ANPC1TP53

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 17 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-20130231344-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-05 US disclosed
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-8372991-B2 Trisubstituted thiophenes that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-02-12 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-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-20110166159-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-07-07 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
US-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-03-04 US disclosed
WO-2010025295-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2010-03-04 WO disclosed
WO-2010025295-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2010-03-04 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-20130231344-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885RAB9A 1174/4885
US-20110166159-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885RAB9A 1174/4885
US-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885RAB9A 1174/4885

“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.