SCHEMBL5653131

SCHEMBL5653131

CCOc1ccc(-c2ccc(C(=O)N(Cc3ccccc3)[C@@H](CCC(=O)O)C(N)=O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EPOR P19235 1/20 0.42
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
GAA P10253 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PARP10 Q53GL7 1/20 0.40
NPC1 O15118 2/20 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
SCHEMBL5653525 0.85 SRD5A2 (0.44) MEN1KMT2APTGESALOX5FFAR1
SCHEMBL4648863 0.85 PARP15 (0.47) EPORPTGESALOX5FFAR4PARP10
SCHEMBL4649562 0.84 PARP15 (0.47) EPORPTGESALOX5FFAR1PARP10
SCHEMBL27826145 0.83 TRPM8 (0.46) L3MBTL1MEN1KMT2AEPORTSHR
SCHEMBL4369489 0.83 PTGES (0.45) CYP1A2MEN1KMT2APTGESALOX5
SCHEMBL2246642 0.82 MMP12 (0.41) CYP1A2PTGESALOX5FFAR1MAPT
SCHEMBL4365889 0.82 PTGES (0.45) PTGESALOX5NPC1RAB9ATRPM8
SCHEMBL2246933 0.81 RXRA (0.45) PTGESALOX5FFAR1FFAR4MAPT
SCHEMBL4367868 0.80 TSHR (0.43) L3MBTL1MEN1KMT2AFFAR1TSHR
SCHEMBL5651081 0.80 PTGES (0.53) NPSR1PTGESALOX5

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 CYP1A2 4799/4885CYP3A4 4874/4885CYP2D6 4810/4885

“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.