SCHEMBL2074479

SCHEMBL2074479

COC(=O)C1CC2=C(CC(Cc3ccccc3)C2=O)N1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 8/20 0.44
KLK5 Q9Y337 8/20 0.44
PRSS1 P07477 3/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
STS P08842 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
GPR119 Q8TDV5 1/20 0.36
PLA2G10 O15496 1/20 0.36
PLA2G5 P39877 1/20 0.36
CETP P11597 1/20 0.36
FKBP1A P62942 1/20 0.36
MMP2 P08253 1/20 0.35
ANPEP P15144 1/20 0.35

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
SCHEMBL1007354 0.88 FKBP1A (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1004861 0.78 PTPN1 (0.35) MMP2ANPEP
SCHEMBL8667026 0.74 KLK7 (0.48) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL8669568 0.73 KLK7 (0.49) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL5065670 0.73 KLK7 (0.49) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL31486428 0.73 KLK7 (0.49) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL1003643 0.72 PTPN1 (0.38) GPR119MMP2ANPEP
SCHEMBL1004662 0.71 USP30 (0.36) KLK7KLK5STSGPR119
SCHEMBL12643706 0.71 KLK7 (0.45) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL22446555 0.71 KLK7 (0.45) KLK7KLK5PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 US disclosed
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 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-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE KLK7 4205/4885KLK5 2490/4885PRSS1 175/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE KLK7 4205/4885KLK5 2490/4885PRSS1 175/4885

“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.