SCHEMBL31369727

SCHEMBL31369727

N[C@@H](CCC(=O)Nc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.66
ALDH1A1 P00352 5/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.53
MAPT P10636 3/20 0.53
HSD17B10 Q99714 1/20 0.53
HPGD P15428 1/20 0.53
CASR P41180 1/20 0.52
POLB P06746 1/20 0.52
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SLC1A3 P43003 1/20 0.51
SLC1A2 P43004 1/20 0.51
SLC1A1 P43005 1/20 0.51
IDO1 P14902 1/20 0.51
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50

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
SCHEMBL23417761 0.84 LTA4H (0.68) LTA4HMAPTCASR
SCHEMBL176813 0.84 LTA4H (0.91) LTA4HALDH1A1MAPTHPGDHTT
SCHEMBL2522620 0.84 LTA4H (0.91) LTA4HALDH1A1MAPTHPGDHTT
SCHEMBL27981283 0.83 LTA4H (0.66) LTA4HKMT2AMEN1MAPTHSD17B10
SCHEMBL31369959 0.83 LTA4H (0.66) LTA4HALDH1A1KMT2AMEN1MAPT
SCHEMBL177182 0.83 LTA4H (0.66) LTA4HKMT2AMEN1MAPTHSD17B10
SCHEMBL6004419 0.83 CASR (0.66) LTA4HCASR
SCHEMBL11613830 0.83 CASR (0.66) LTA4HCASR
SCHEMBL31370195 0.82 LTA4H (0.73) LTA4HALDH1A1POLBSLC1A3SLC1A2
SCHEMBL10076188 0.81 MAPT (0.65) LTA4HMAPTHPGDPOLBSLC1A2

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 LTA4H 4516/4885ALDH1A1 4472/4885KMT2A 3415/4885

“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.