SCHEMBL3301804

SCHEMBL3301804

CC(C)[C@@H]1C(=O)[C@@](Cc2ccccc2)(NC(=O)OC(C)(C)C)C(=O)N1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 6/20 0.41
KLK5 Q9Y337 5/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ATM Q13315 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
MAPK1 P28482 1/20 0.37
AKT1 P31749 4/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
CTRB1 P17538 2/20 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
SCHEMBL4438240 1.00 KLK7 (0.41) KLK7KLK5CA12CA1CA7
SCHEMBL3304162 0.84 KLK7 (0.48) KLK7KLK5CA12CA1CA7
SCHEMBL3303460 0.80 NFKB1 (0.30)
SCHEMBL4429712 0.80 NFKB1 (0.30)
SCHEMBL3306620 0.80 NFKB1 (0.30)
SCHEMBL13409273 0.78
SCHEMBL3692487 0.76 NFKB1 (0.32)
SCHEMBL3302910 0.76 NFKB1 (0.32)
SCHEMBL13391516 0.74 NFKB1 (0.31)
SCHEMBL3309464 0.74 PPIA (0.41) CA12CA1CA7CA14ATM

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
US-20100099874-A1 TRANSANNULAR REARRANGEMENT OF ACTIVATED LACTAMS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS (FR) 2010-04-22 US disclosed
EP-2134681-A1 TRANS-ANNULAR REARRANGEMENT OF ACTIVE LACTAMES Centre National de la Recherche Scientifique (CNRS) (FR) 2009-12-23 EP 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 4555/4885CA12 1736/4885

“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.