SCHEMBL1954783

SCHEMBL1954783

O=C(CCc1ccccc1)Nc1scc(-c2ccc(O)cc2)c1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.57
KMT2A Q03164 9/20 0.53
MEN1 O00255 8/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
TP53 P04637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
PKM P14618 2/20 0.53
USP2 O75604 1/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
HSD17B10 Q99714 1/20 0.53
RAB9A P51151 5/20 0.50
POLB P06746 2/20 0.50
NPC1 O15118 3/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 1/20 0.48
SLC12A2 P55011 1/20 0.48
SLC12A5 Q9H2X9 1/20 0.48
NLRP3 Q96P20 1/20 0.48
KDM4E B2RXH2 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
SCHEMBL7955092 0.89 KMT2A (0.52) KMT2AMEN1SMN1; SMN2TP53ALDH1A1
SCHEMBL1954819 0.89 MEN1 (0.56) KMT2AMEN1SMN1; SMN2TP53ALDH1A1
SCHEMBL1954102 0.89 ANO1 (0.61) KMT2AMEN1SMN1; SMN2TP53ALDH1A1
SCHEMBL12271094 0.87 HCAR2 (0.54) HCAR2KMT2AMEN1SMN1; SMN2TP53
SCHEMBL1952340 0.86 MEN1 (0.64) KMT2AMEN1SMN1; SMN2TP53ALDH1A1
SCHEMBL12271471 0.86 KMT2A (0.49) KMT2AMEN1SMN1; SMN2TP53ALDH1A1
SCHEMBL1954767 0.86 RAB9A (0.55) KMT2AMEN1SMN1; SMN2TP53ALDH1A1
SCHEMBL1954403 0.84 ANO1 (0.60)
SCHEMBL1951853 0.84 ANO1 (0.51) HCAR2KMT2AMEN1SMN1; SMN2TP53
SCHEMBL3628782 0.84 MEN1 (0.49) HCAR2KMT2AMEN1SMN1; SMN2TP53

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 21 patents — showing the first 20. 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-20130245025-A1 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-09-19 US disclosed
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-8394848-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-03-12 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-8383670-B2 Trisubstituted thiophenes that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-02-26 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-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
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-06-09 US disclosed
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-06-09 US disclosed
US-7906553-B2 Substituted thiophene modulators of intracellular calcium CALCIMEDICA, INC. (US) 2011-03-15 US disclosed
US-7906553-B2 Substituted thiophene modulators of intracellular calcium CALCIMEDICA, INC. (US) 2011-03-15 US 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
US-20100261725-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-10-14 US disclosed
US-20100261725-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-10-14 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 (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 HCAR2 343/4885KMT2A 4706/4885MEN1 2958/4885
US-20110212970-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 HCAR2 343/4885KMT2A 4706/4885MEN1 2958/4885
US-20130245025-A1 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 HCAR2 343/4885KMT2A 4706/4885MEN1 2958/4885
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 HCAR2 343/4885KMT2A 4706/4885MEN1 2958/4885

“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.