SCHEMBL12414218

SCHEMBL12414218

O=C(CCc1ccccc1)Nc1scc(-c2nc3ccccc3[nH]2)c1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.60
MMP9 P14780 8/20 0.60
MMP8 P22894 8/20 0.60
MMP13 P45452 7/20 0.60
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
PIN1 Q13526 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MMP3 P08254 1/20 0.46
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL12756837 0.82 MMP2 (0.60) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL2181392 0.75 RAB9A (0.58) MMP2MMP9MMP8MMP13KDM4E
SCHEMBL1954783 0.75 HCAR2 (0.57) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3622257 0.75 SMN1; SMN2 (0.52) KDM4EMAPTGAARAB9ANPC1
SCHEMBL1954819 0.74 MEN1 (0.56) MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL7945258 0.74 RAB9A (0.47) KDM4EMAPTGAARAB9ANPC1
SCHEMBL7955092 0.74 KMT2A (0.52) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1954102 0.74 ANO1 (0.61) SMN1; SMN2
SCHEMBL3628782 0.73 MEN1 (0.49) RAB9ANPC1SMN1; SMN2
SCHEMBL3251954 0.73 MTOR (0.48) MMP2MMP9MMP8MMP13KDM4E

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 8 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-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-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

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 MMP2 4407/4885MMP9 3922/4885MMP8 4082/4885
US-20110166159-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MMP2 4407/4885MMP9 3922/4885MMP8 4082/4885
US-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MMP2 4407/4885MMP9 3922/4885MMP8 4082/4885

“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.