SCHEMBL1490571

SCHEMBL1490571

O=C(CCc1ccccc1)Nc1csc(-c2ccc(F)cc2)c1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.59
RAB9A P51151 3/20 0.54
POLB P06746 3/20 0.54
NPC1 O15118 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 3/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
MAPK14 Q16539 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
KDM6B O15054 1/20 0.44
KDM4D Q6B0I6 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
EGLN3 Q9H6Z9 1/20 0.44
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 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
SCHEMBL1490677 0.90 HCAR2 (0.53) HCAR2RAB9APOLBNPC1SMN1; SMN2
SCHEMBL1490596 0.90 HCAR2 (0.53) HCAR2RAB9APOLBNPC1SMN1; SMN2
SCHEMBL12756640 0.89 HCAR2 (0.59) HCAR2RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL1490241 0.88 ALOX15 (0.53) HCAR2RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL1490744 0.88 HDAC2 (0.47) HCAR2RAB9APOLBNPC1SMN1; SMN2
SCHEMBL12829847 0.85 POLB (0.49) HCAR2RAB9APOLBNPC1SMN1; SMN2
SCHEMBL12756635 0.85 HCAR2 (0.44) HCAR2RAB9APOLBNPC1SMN1; SMN2
SCHEMBL12756653 0.85 GAA (0.51) HCAR2RAB9APOLBNPC1SMN1; SMN2
SCHEMBL1490658 0.84 HCAR2 (0.48) HCAR2RAB9APOLBNPC1SMN1; SMN2
SCHEMBL1490660 0.84 HCAR2 (0.48) HCAR2RAB9APOLBNPC1SMN1; SMN2

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-8618307-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-12-31 US disclosed
EP-2477982-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2012-07-25 EP 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

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 HCAR2 343/4885RAB9A 1174/4885POLB 4774/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 HCAR2 343/4885RAB9A 1174/4885POLB 4774/4885

“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.