SCHEMBL31369852

SCHEMBL31369852

O=C(N[C@@H](Cc1ccc(-c2ccc(Br)cc2)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.60
MDM4 O15151 2/20 0.54
TP53 P04637 2/20 0.54
MMP2 P08253 2/20 0.49
FPR2 P25090 2/20 0.49
MMP1 P03956 1/20 0.49
MMP3 P08254 1/20 0.49
MMP7 P09237 1/20 0.49
MMP9 P14780 1/20 0.49
MMP13 P45452 1/20 0.49
ITGB1 P05556 2/20 0.48
ITGA4 P13612 2/20 0.48
CASP3 P42574 2/20 0.47

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
SCHEMBL29364294 0.97 MDM2 (0.58) MDM2MDM4TP53FPR2CASP3
SCHEMBL3230124 0.97 MDM2 (0.58) MDM2MDM4TP53FPR2CASP3
SCHEMBL3195536 0.97 MDM2 (0.58) MDM2MDM4TP53FPR2CASP3
SCHEMBL30873956 0.97 MDM2 (0.58) MDM2MDM4TP53FPR2CASP3
SCHEMBL119803 0.97 MDM2 (0.58) MDM2MDM4TP53FPR2CASP3
SCHEMBL30229505 0.97 MDM2 (0.58) MDM2MDM4TP53FPR2CASP3
SCHEMBL3732469 0.94 MDM4 (0.59) MDM2MDM4TP53CASP3
SCHEMBL800116 0.94 MDM4 (0.59) MDM2MDM4TP53CASP3
SCHEMBL30905336 0.94 MDM4 (0.59) MDM2MDM4TP53CASP3
SCHEMBL29400850 0.94 MDM4 (0.59) MDM2MDM4TP53CASP3

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 MDM2 2036/4885MDM4 2155/4885TP53 3262/4885

“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.