SCHEMBL4266201

SCHEMBL4266201

O=C(O)[C@H](Cc1ccccc1)NC(=O)C1(n2ccc3ccccc32)C=CC(c2ccccc2)=CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.42
ACE P12821 3/20 0.42
CPA1 P15085 3/20 0.42
ACE2 Q9BYF1 3/20 0.42
ITGB1 P05556 6/20 0.41
ITGA4 P13612 6/20 0.41
POLB P06746 2/20 0.40
NTSR1 P30989 1/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL4271239 0.90 ITGB1 (0.41) MMEACECPA1ACE2ITGB1
SCHEMBL4264235 0.82 MME (0.41) MMECPA1
SCHEMBL4266200 0.73 MME (0.40) MMEACECPA1ACE2ITGB1
SCHEMBL5727492 0.67 KMT2A (0.33) KMT2AALDH1A1MEN1
SCHEMBL27630173 0.67 ITGA4 (0.45) MMEACECPA1ACE2ITGB1
SCHEMBL16294576 0.66 ITGB1 (0.60) MMEITGB1ITGA4ALDH1A1
SCHEMBL4266433 0.64 PTPN1 (0.53) MMEACECPA1ACE2ITGB1
SCHEMBL5404050 0.63 ITGB3 (0.53) ITGA4ALDH1A1
SCHEMBL18180178 0.62 NAALAD2 (0.78) MMEKMT2AALDH1A1MEN1
SCHEMBL19969196 0.62 NAALAD2 (0.78) MMEKMT2AALDH1A1MEN1

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-20090082392-A1 Substituted Carboxylic Acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC 2009-03-26 US claimed

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-20090082392-A1 Substituted Carboxylic Acids PTPRJ, PTPRS, PTPRG MME 3001/4885ACE 1279/4885CPA1 1736/4885

“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.