SCHEMBL12756669

SCHEMBL12756669

O=C(CCc1ccccc1)Nc1csc(-c2cc3ccccc3o2)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 4/20 0.44
▸ RAB9A P51151 4/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ POLB P06746 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ ADAM17 P78536 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MAOB P27338 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM6B O15054 1/20 0.40
▸ KDM4D Q6B0I6 1/20 0.40

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
SCHEMBL12756681 0.89 ALOX15 (0.49) RAB9ANPC1SMN1; SMN2POLBGAA
SCHEMBL12756670 0.87 MEN1 (0.42) MKNK1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL12830008 0.83 SMN1; SMN2 (0.46) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL12756457 0.83 NPC1 (0.54) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL7948736 0.81 MKNK1 (0.44) MKNK1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL12756729 0.77 MMP2 (0.40) RAB9ANPC1SMN1; SMN2MAPTMAPK1
SCHEMBL12756460 0.77 RAB9A (0.47) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL1490512 0.76 ALOX15 (0.52) RAB9ANPC1SMN1; SMN2POLBGAA
SCHEMBL12756464 0.76 NPC1 (0.49) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL12756458 0.76 NPC1 (0.49) RAB9ANPC1SMN1; SMN2POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 — — US disclosed
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 — — US disclosed
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 — — WO disclosed
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 — — US disclosed
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 — — 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 (2 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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MKNK1 1391/4885RAB9A 1174/4885NPC1 262/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MKNK1 1391/4885RAB9A 1174/4885NPC1 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.

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