SCHEMBL4878751

SCHEMBL4878751

CCC1(C(=O)NC(CN(C)C)C(=O)O)C=CC(c2ccccc2)C=C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
ITGB1 P05556 4/20 0.32
ITGA4 P13612 4/20 0.32
MME P08473 5/20 0.32
ACE P12821 5/20 0.32
CPA1 P15085 4/20 0.32
ACE2 Q9BYF1 4/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
TACR3 P29371 1/20 0.31
POLB P06746 1/20 0.31
ITGB7 P26010 2/20 0.31
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP14 P50281 1/20 0.30
PPARG P37231 1/20 0.30

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
SCHEMBL4876772 0.90 ANPEP (0.35) KDM1AMMP9MMP8MMP14
SCHEMBL404156 0.75 MMP1 (0.38) MMP9
SCHEMBL4876239 0.75 ANPEP (0.36) MMP8
SCHEMBL4877868 0.74 CYP3A4 (0.35) MAPTMAPK1TACR3POLB
SCHEMBL2157188 0.74 CYP3A4 (0.36) KDM1AMAPTHTT
SCHEMBL4868337 0.69 ANPEP (0.35)
SCHEMBL403859 0.69 CSK (0.34) MMP8
SCHEMBL5650448 0.68 SMN1; SMN2 (0.42) NPC1RAB9A
SCHEMBL4878757 0.68 ITGB1 (0.36) ITGB1ITGA4MMEACECPA1
SCHEMBL403197 0.68 SIGMAR1 (0.34)

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 KDM1A 4512/4885ITGB1 2538/4885ITGA4 3436/4885

“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.