SCHEMBL5653527

SCHEMBL5653527

NC(=O)CC[C@H](NCc1ccc(Oc2ccccc2)cc1)C(=O)OC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
MAPK14 Q16539 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PARP10 Q53GL7 1/20 0.39
KCNT1 Q5JUK3 1/20 0.39
FFAR1 O14842 1/20 0.39
SRD5A2 P31213 2/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL4369490 0.88 KDM4E (0.44) SMN1; SMN2KDM4EMAPK14NPC1RAB9A
SCHEMBL5651085 0.86 RAB9A (0.43) KDM4ENPC1RAB9AMMP2MMP9
SCHEMBL4359340 0.86 KDM4E (0.42) SMN1; SMN2KDM4ENPC1RAB9AMMP2
SCHEMBL4365892 0.84 KDM4E (0.42) SMN1; SMN2KDM4ENPC1RAB9AMMP2
SCHEMBL5650385 0.84 MAPT (0.42) SMN1; SMN2KDM4EALDH1A1PPARGPPARA
SCHEMBL5653113 0.82 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EOPRM1OPRD1OPRK1
SCHEMBL2251543 0.82 FFAR1 (0.46) OPRM1OPRD1OPRK1MAPK14MMP2
SCHEMBL5655905 0.82 KDM4E (0.42) SMN1; SMN2KDM4EMMP12MMP2MMP9
SCHEMBL2251695 0.80 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL5654173 0.80 KDM4E (0.44) SMN1; SMN2KDM4EMMP2MMP9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 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-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 SMN1; SMN2 2624/4885KDM4E 1232/4885OPRM1 3465/4885

“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.