SCHEMBL22010463

SCHEMBL22010463

C=C(N)c1ccc(CC(N)C(=O)C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 2/20 0.44
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
SLC7A5 Q01650 3/20 0.40
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
GRB2 P62993 1/20 0.38
ANPEP P15144 1/20 0.37
ENPEP Q07075 1/20 0.37
LNPEP Q9UIQ6 3/20 0.36
ERAP2 Q6P179 2/20 0.36
PTPN1 P18031 2/20 0.35
EPHX1 P07099 1/20 0.35
CSK P41240 1/20 0.35
KMT2A Q03164 1/20 0.34
SLC15A1 P46059 1/20 0.34

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
SCHEMBL22009368 0.84 PRSS1 (0.45) TPH1SLC7A5
SCHEMBL13301968 0.80 SLC7A5 (0.62) SLC7A5LNPEPERAP2
SCHEMBL16501755 0.80 SLC7A5 (0.62) SLC7A5LNPEPERAP2
SCHEMBL19733553 0.80 EPHX1 (0.50) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL12194007 0.80 SLC7A5 (0.44) TPH1SLC7A5ALPIPKMPTGS1
SCHEMBL26778041 0.80 SLC7A5 (0.44) TPH1SLC7A5ALPIPKMPTGS1
SCHEMBL16724760 0.80 SLC7A5 (0.49) TPH1SLC7A5ALPIPKMPTGS1
SCHEMBL12194019 0.79 MME (0.47) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL19733556 0.79 TP53 (0.53) SLC7A5GRB2ANPEPERAP2PTPN1
SCHEMBL12194021 0.79 TP53 (0.53) SLC7A5GRB2ANPEPERAP2PTPN1

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-20200157144-A1 ANTIMICROBIAL PEPTIDOMIMETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-05-21 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-20200157144-A1 ANTIMICROBIAL PEPTIDOMIMETICS NGLY1, GLMN, GMPS TPH1 1510/4885THRA 3384/4885THRB 2323/4885

“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.