SCHEMBL4878757

SCHEMBL4878757

CCC1(C(=O)NC(CN(C)C)C(=O)O)C=CC(c2ccccc2)=CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 9/20 0.36
ITGA4 P13612 9/20 0.36
MME P08473 7/20 0.34
ACE P12821 7/20 0.34
ACE2 Q9BYF1 6/20 0.34
CPA1 P15085 5/20 0.34
ITGB7 P26010 2/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL4876777 0.91 ANPEP (0.37)
SCHEMBL4876249 0.78 ANPEP (0.39)
SCHEMBL4877871 0.77 PYGL (0.34) LMNA
SCHEMBL2157193 0.77 SMN1; SMN2 (0.33) LMNA
SCHEMBL404157 0.76 MMP1 (0.36) MMEACEACE2CPA1
SCHEMBL27805645 0.72 KDM4E (0.30) MME
SCHEMBL403860 0.72 ANPEP (0.35)
SCHEMBL27734190 0.71 MMP9 (0.37)
SCHEMBL403198 0.71 CHEK1 (0.32)
SCHEMBL4868358 0.71 ANPEP (0.36)

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-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 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-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS ITGB1 2538/4885ITGA4 3436/4885MME 356/4885

“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.