SCHEMBL18630366

SCHEMBL18630366

COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.49
PEPD P12955 2/20 0.47
ACE P12821 1/20 0.44
XPNPEP1 Q9NQW7 1/20 0.43
FKBP1A P62942 1/20 0.42
F2 P00734 1/20 0.42
PRSS1 P07477 1/20 0.42
ITGB3 P05106 9/20 0.41
ITGA2B P08514 9/20 0.41
CMA1 P23946 5/20 0.40
CTRC Q99895 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
SCHEMBL8254962 0.88 CTSK (0.50) KLK5PEPDACEXPNPEP1FKBP1A
SCHEMBL28186217 0.87 KLK5 (0.52) KLK5PEPDACEXPNPEP1FKBP1A
SCHEMBL30193081 0.87 KLK5 (0.52) KLK5PEPDACEXPNPEP1FKBP1A
SCHEMBL10144067 0.87 TSHR (0.52) KLK5PEPDACEXPNPEP1FKBP1A
SCHEMBL28286258 0.83 CTSK (0.53) KLK5PEPDACEXPNPEP1FKBP1A
SCHEMBL21536111 0.83 CTSK (0.53) KLK5PEPDACEXPNPEP1FKBP1A
SCHEMBL8005012 0.83 ITGB3 (0.45) KLK5PEPDACEXPNPEP1FKBP1A
SCHEMBL21409190 0.83 KLK5 (0.62) KLK5ACEF2PRSS1CMA1
SCHEMBL21409191 0.83 KLK5 (0.62) KLK5ACEF2PRSS1CMA1
SCHEMBL21409192 0.83 KLK5 (0.62) KLK5ACEF2PRSS1CMA1

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-20170073370-A1 BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. 2017-03-16 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 (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-20170073370-A1 BROAD SPECTRUM ANTIBIOTICS SPAST, NPEPPS, SPOUT1 KLK5 1116/4885PEPD 7/4885ACE 153/4885

“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.