SCHEMBL5653113

SCHEMBL5653113

NC(=O)CC[C@H](NCCCc1ccccc1)C(=O)OC(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
OPRM1 P35372 3/20 0.43
OPRD1 P41143 3/20 0.43
OPRK1 P41145 3/20 0.43
PLAAT3 P53816 2/20 0.43
PLAAT5 Q96KN8 2/20 0.43
PLAAT2 Q9NWW9 2/20 0.43
PLAAT4 Q9UL19 2/20 0.43
GGT1 P19440 1/20 0.42
KMT2A Q03164 1/20 0.41
FFAR1 O14842 2/20 0.41
SRD5A2 P31213 1/20 0.40
HDAC1 Q13547 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
PARP10 Q53GL7 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
SCHEMBL5651549 0.88 KDM4E (0.44) GGT1HDAC1NPC1RAB9AKDM4E
SCHEMBL5653523 0.87 KDM4E (0.54) GGT1KMT2AHDAC1KDM4EMAPT
SCHEMBL5653527 0.82 SMN1; SMN2 (0.47) SMN1; SMN2OPRM1OPRD1OPRK1FFAR1
SCHEMBL2248518 0.77 GGT1 (0.67) SMN1; SMN2GGT1KMT2AHDAC1NPC1
SCHEMBL5650385 0.77 MAPT (0.42) SMN1; SMN2KMT2AHDAC1ALDH1A1KDM4E
SCHEMBL4363953 0.75 HIF1A (0.45) SMN1; SMN2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4357430 0.74 KDM4E (0.46) SMN1; SMN2HDAC1NPC1RAB9AKDM4E
SCHEMBL2246500 0.74 GGT1 (0.61) GGT1KMT2AALDH1A1MAPT
SCHEMBL4369490 0.71 KDM4E (0.44) SMN1; SMN2KMT2AHDAC1ALDH1A1NPC1
SCHEMBL5655905 0.71 KDM4E (0.42) SMN1; SMN2KMT2AHDAC1KDM4E

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 2624/4885OPRM1 3465/4885OPRD1 2927/4885

“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.