SCHEMBL1490261

SCHEMBL1490261

COC(=O)c1c(-c2ccc(Cl)cc2)sc(Br)c1NC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KAT2B Q92831 1/20 0.44
TP53 P04637 2/20 0.43
MDM2 Q00987 2/20 0.43
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 4/20 0.41
PPARA Q07869 1/20 0.41
P2RX7 Q99572 1/20 0.41
HK1 P19367 1/20 0.40
HKDC1 Q2TB90 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
SCHEMBL1490608 0.91 MAPT (0.44) SMN1; SMN2KAT2BCYP1A2CYP2D6CYP2C9
SCHEMBL1490406 0.84 SMN1; SMN2 (0.48) GAASMN1; SMN2KAT2BCYP1A2CYP2D6
SCHEMBL1490651 0.79 NPC1 (0.48) GAASMN1; SMN2KAT2BTP53MDM2
SCHEMBL1490219 0.77 SMN1; SMN2 (0.41) GAASMN1; SMN2KAT2BCYP1A2CYP2D6
SCHEMBL1490425 0.72 RAB9A (0.48) SMN1; SMN2TP53ALDH1A1NPC1RAB9A
SCHEMBL1491014 0.70 HDAC3 (0.50) GAASMN1; SMN2KAT2BCYP1A2CYP2D6
SCHEMBL3795024 0.70 POLB (0.68) SMN1; SMN2TP53CYP1A2CYP2D6CYP2C9
SCHEMBL1954635 0.70 ANO1 (0.60) SMN1; SMN2TP53ALDH1A1TSHRHSD17B10
SCHEMBL1095126 0.69 CASP3 (0.58) GAASMN1; SMN2CYP1A2CYP2C19NPC1
SCHEMBL1490684 0.69 NPC1 (0.52) SMN1; SMN2ALDH1A1TSHRHSD17B10NPC1

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 9 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
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
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 GAA 994/4885SMN1; SMN2 854/4885KAT2B 4055/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 GAA 994/4885SMN1; SMN2 854/4885KAT2B 4055/4885

“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.