SCHEMBL18065693

SCHEMBL18065693

NC(CCCNC(=O)O)CNC(=O)C(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.53
MME P08473 1/20 0.45
ACE P12821 1/20 0.45

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
SCHEMBL18065691 1.00 MMP2 (0.53) MMP2MMEACE
SCHEMBL18065712 0.93 MMP2 (0.49) MMP2
SCHEMBL18065667 0.86 MMP2 (0.66) MMP2MMEACE
SCHEMBL18065666 0.86 MMP2 (0.66) MMP2MMEACE
SCHEMBL18085415 0.85 MMP2 (0.54) MMP2
SCHEMBL18065713 0.83 MME (0.47) MMEACE
SCHEMBL18065655 0.81 CNR1 (0.54)
SCHEMBL18065656 0.81 CNR1 (0.54)
SCHEMBL3795461 0.80 MMP2 (0.53) MMP2
SCHEMBL18065688 0.80 MMP2 (0.60) MMP2

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 MMP2 678/4885MME 1513/4885ACE 829/4885

“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.