SCHEMBL18065713

SCHEMBL18065713

O=C(O)NCCC[C@@H](CNC(=O)C(Cc1ccccc1)Cc1ccccc1)NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.47
ACE P12821 3/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
ECE1 P42892 1/20 0.46
BLM P54132 1/20 0.46
NPEPPS P55786 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL18065674 0.93 MME (0.43) MMEACEALDH1A1HPGDMAPK1
SCHEMBL18065690 0.89 MMP8 (0.45) HPGDMEN1KMT2A
SCHEMBL18065648 0.89 MMP8 (0.45) HPGDMEN1KMT2A
SCHEMBL18065671 0.84 MMP8 (0.48) HPGDKMT2A
SCHEMBL18065693 0.83 MMP2 (0.53) MMEACE
SCHEMBL18065691 0.83 MMP2 (0.53) MMEACE
SCHEMBL18065658 0.82 ALDH1A1 (0.40) MMEALDH1A1HPGDKMT2A
SCHEMBL18065718 0.82 CNR1 (0.52) MEN1KMT2A
SCHEMBL18065696 0.81 KMT2A (0.42) MMEACEALDH1A1HPGDMEN1
SCHEMBL18065685 0.80 ALDH1A1 (0.48) ALDH1A1MAPK1MEN1KMT2A

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-9950993-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-24 US disclosed
US-20160271081-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-22 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-20160271081-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 MME 1513/4885ACE 829/4885ALDH1A1 1019/4885

“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.