SCHEMBL22454760

SCHEMBL22454760

C=CCOC(=O)C[C@H]1C(=O)OC(C)N1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
FABP5 Q01469 3/20 0.34
FABP7 O15540 2/20 0.34
IDO1 P14902 1/20 0.33
EPHX2 P34913 1/20 0.33
CASP3 P42574 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL29633792 1.00 NPSR1 (0.41) NPSR1KMT2ACYP1A2FABP5FABP7
SCHEMBL25657500 0.87 KMT2A (0.40) KMT2ACYP1A2FABP5FABP7EPHX2
SCHEMBL29828502 0.79 FABP5 (0.40) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL25657610 0.79 FABP5 (0.40) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL27032770 0.79 FABP5 (0.40) KMT2AFABP5FABP7EPHX2CASP3
SCHEMBL24579395 0.79 USP2 (0.49) NPSR1KMT2ACYP1A2FABP5FABP7
SCHEMBL30802562 0.79 USP2 (0.49) NPSR1KMT2ACYP1A2FABP5FABP7
SCHEMBL21896147 0.79 USP2 (0.49) NPSR1KMT2ACYP1A2FABP5FABP7
SCHEMBL29854958 0.79 USP2 (0.49) NPSR1KMT2ACYP1A2FABP5FABP7
SCHEMBL30054116 0.79 NPSR1 (0.44) NPSR1KMT2ACYP1A2FABP5FABP7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-05-12 US disclosed
EP-3939962-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2022-01-19 EP disclosed
WO-2020189540-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE 中外製薬株式会社 2020-09-24 WO 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 (2 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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS NPSR1 1895/4885KMT2A 3145/4885CYP1A2 4845/4885
US-20220144762-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE DDC, AADAT, TYR NPSR1 2250/4885KMT2A 355/4885CYP1A2 880/4885

“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.