SCHEMBL18675248

SCHEMBL18675248

CC(=O)[C@H]1CSCN1C(=O)[C@H](C)NC(=O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.43
▸ DPP4 P27487 2/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ PREP P48147 1/20 0.33
▸ FAP Q12884 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ BIRC2 Q13490 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL18681136 0.87 ACE (0.42) ACEDPP4DPP8DPP7PREP
SCHEMBL8278480 0.82 ACE (0.47) ACEDPP4DPP8DPP7PREP
SCHEMBL18675236 0.78 PREP (0.41) ACEDPP4DPP8PREPFAP
SCHEMBL17282590 0.75 ACE (0.43) ACEDPP4DPP8DPP7PREP
SCHEMBL18675240 0.75 PREP (0.49) ACEDPP4DPP8PREPFAP
SCHEMBL18675250 0.74 PREP (0.45) ACEPREPFAPHSD17B10KDM4E
SCHEMBL18675241 0.74 ATM (0.44) DPP4DPP8DPP7PREPFAP
SCHEMBL18675242 0.74 ATM (0.44) DPP4DPP8DPP7PREPFAP
SCHEMBL18675244 0.73 PSMB9 (0.35) DPP4DPP8DPP7PREPFAP
SCHEMBL18675243 0.73 PIN1 (0.42) DPP4DPP8DPP7PREPFAP

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-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2017-03-30 — — 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-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC ACE 170/4885DPP4 58/4885DPP8 62/4885

“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.

Send feedback