SCHEMBL3304162

SCHEMBL3304162

CC(C)(C)OC(=O)NC1(Cc2ccccc2)C(=O)C(Cc2ccccc2)N(C(=O)OC(C)(C)C)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 8/20 0.48
KLK5 Q9Y337 7/20 0.46
PRSS1 P07477 3/20 0.44
PRSS2 P07478 3/20 0.44
PRSS3 P35030 3/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
PLA2G10 O15496 1/20 0.38
PLA2G5 P39877 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
ATM Q13315 1/20 0.36
AKT1 P31749 3/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3301804 0.84 KLK7 (0.41) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL4438240 0.84 KLK7 (0.41) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL3309464 0.75 PPIA (0.41) CA12CA1CA7CA14ATM
SCHEMBL3305389 0.71 BRD4 (0.30)
SCHEMBL10387214 0.70 KLK7 (0.61) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL10386697 0.70 KLK7 (0.61) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL27527337 0.69 KLK7 (0.57) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL20734805 0.69 KLK7 (0.57) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL13205498 0.69 KLK7 (0.57) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL247530 0.67 KLK7 (0.54) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592587-B2 Transannular rearrangement of activated lactams CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2013-11-26 US disclosed
EP-2134681-B1 TRANS-ANNULAR REARRANGEMENT OF ACTIVE LACTAMES CENTRE NAT RECH SCIENT (FR) 2012-05-16 EP disclosed
EP-2134681-B1 TRANS-ANNULAR REARRANGEMENT OF ACTIVE LACTAMES CENTRE NAT RECH SCIENT (FR) 2012-05-16 EP disclosed
US-20100099874-A1 TRANSANNULAR REARRANGEMENT OF ACTIVATED LACTAMS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS (FR) 2010-04-22 US disclosed
WO-2008125421-A1 TRANS-ANNULAR REARRANGEMENT OF ACTIVE LACTAMES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2008-10-23 WO 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-20100099874-A1 TRANSANNULAR REARRANGEMENT OF ACTIVATED LACTAMS C9, RPS4Y1, C5 KLK7 4324/4885KLK5 4555/4885PRSS1 1843/4885

“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.