SCHEMBL16000758

SCHEMBL16000758

CC(=O)C1CCCN1C(=O)[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 3/20 0.46
▸ FAP Q12884 1/20 0.46
▸ CMA1 P23946 9/20 0.44
▸ ACE P12821 1/20 0.43
▸ KLK5 Q9Y337 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ ELANE P08246 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ HSD17B10 Q99714 1/20 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
SCHEMBL30406562 0.92 KLK5 (0.46) PREPFAPCMA1ACEKLK5
SCHEMBL16000759 0.89 ACE (0.53) CMA1ACEKMT2AHSD17B10
SCHEMBL13950858 0.89 ACE (0.53) CMA1ACEKMT2AHSD17B10
SCHEMBL6242739 0.89 ACE (0.53) CMA1ACEKMT2AHSD17B10
SCHEMBL2262901 0.89 ACE (0.53) CMA1ACEKMT2AHSD17B10
SCHEMBL17348387 0.89 ACE (0.53) CMA1ACEKMT2AHSD17B10
SCHEMBL13258959 0.88 CMA1 (0.51) CMA1ELANECTSLCTSBCTSK
SCHEMBL17348390 0.88 KLK5 (0.53) PREPFAPCMA1ACEKLK5
SCHEMBL7311829 0.88 KLK5 (0.53) PREPFAPCMA1ACEKLK5
SCHEMBL14235324 0.88 CMA1 (0.44) PREPFAPCMA1ACEKLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073370-A1 BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. 2017-03-16 — — US disclosed
US-20140249073-A1 BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC (US) 2014-09-04 — — 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-20140249073-A1 BROAD SPECTRUM ANTIBIOTICS SPAST, NPEPPS, SPOUT1 PREP 21/4885FAP 44/4885CMA1 1706/4885
US-20170073370-A1 BROAD SPECTRUM ANTIBIOTICS SPAST, NPEPPS, SPOUT1 PREP 21/4885FAP 44/4885CMA1 1706/4885

“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.

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