SCHEMBL31369719

SCHEMBL31369719

COc1cc(Cl)c2[nH]cc(C[C@H](N)C(=O)O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.52
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
LTA4H P09960 1/20 0.49
PLA2G2A P14555 1/20 0.49
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 2/20 0.46
BLM P54132 2/20 0.46
PMP22 Q01453 2/20 0.46
HTR1A P08908 2/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADORA3 P0DMS8 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
SCHEMBL26693262 0.83 TNF (0.61) TNFKMT2AMEN1HSP90AA1HSP90AB1
SCHEMBL26693263 0.83 TNF (0.61) TNFKMT2AMEN1HSP90AA1HSP90AB1
SCHEMBL32684009 0.83 TNF (0.61) TNFKMT2AMEN1HSP90AA1HSP90AB1
SCHEMBL31370172 0.81 TNF (0.55) TNFKMT2AMEN1HSP90AA1HSP90AB1
SCHEMBL837887 0.80 TNF (0.51) TNFKMT2AMEN1HSP90AA1HSP90AB1
SCHEMBL2330863 0.78 HTR2B (0.70) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL122600 0.78 HTR2B (0.70) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL31370127 0.78 TNF (0.48) TNFKMT2AMEN1HSP90AA1HSP90AB1
SCHEMBL18029115 0.78 HTR2B (0.70) KMT2AMEN1HSP90AA1HSP90AB1LTA4H
SCHEMBL122601 0.78 HTR2B (0.70) KMT2AMEN1HSP90AA1HSP90AB1LTA4H

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 TNF 4219/4885KMT2A 3415/4885MEN1 4354/4885

“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.