SCHEMBL12366266

SCHEMBL12366266

O=CCC[C@@H](C=O)NC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
HPGDS O60760 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
CYP1A2 P05177 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
CASP3 P42574 1/20 0.45
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
UTS2R Q9UKP6 5/20 0.43
F2 P00734 2/20 0.43
F10 P00742 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
PRKACA P17612 1/20 0.43
CDK8 P49336 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 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
SCHEMBL13776441 0.91 CAPN1 (0.49) RAB9ASMN1; SMN2CYP1A2MEN1HTT
SCHEMBL29351366 0.85 CASP3 (0.40) NPC1RAB9AHPGDSSMN1; SMN2CASP3
SCHEMBL13776496 0.84 MPO (0.44) SMN1; SMN2CASP3MEN1HTTKMT2A
SCHEMBL12367201 0.83 SMN1; SMN2 (0.47) SMN1; SMN2CASP3MEN1HTTKMT2A
SCHEMBL12366696 0.82 KMT2A (0.48) NPC1RAB9ASMN1; SMN2CTDSP1CASP3
SCHEMBL12366684 0.82 NPC1 (0.43) NPC1RAB9ASMN1; SMN2CYP1A2CASP3
SCHEMBL11670630 0.82 CAPN1 (0.47) RAB9ASMN1; SMN2CYP1A2MEN1HTT
SCHEMBL13776583 0.82 KMT2A (0.51) RAB9ASMN1; SMN2CYP1A2CTDSP1MEN1
SCHEMBL12366267 0.82 PRKACA (0.54) NPC1RAB9AHPGDSSMN1; SMN2CYP1A2
SCHEMBL8243278 0.81 NPC1 (0.51) NPC1RAB9AHPGDSSMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998965-B2 Glutamate aggrecanase inhibitors WYETH LLC (US) 2011-08-16 US disclosed
US-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2010-01-14 US disclosed
EP-2083014-A2 Inhibitors of interleukin-1ß converting enzyme Vertex Pharmceuticals Incorporated (US) 2009-07-29 EP disclosed
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 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 (1 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-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS ADAMTS5, ADAMTS1, ADAMTS7 NPC1 3103/4885RAB9A 3609/4885HPGDS 1417/4885

“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.