SCHEMBL5069630

SCHEMBL5069630

CCN(N)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
CYP1A2 P05177 1/20 0.48
SRR Q9GZT4 2/20 0.46
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
CPA1 P15085 2/20 0.43
CPA3 P15088 2/20 0.43
FOLH1 Q04609 1/20 0.43
CPB1 P15086 1/20 0.43
CPB2 Q96IY4 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL2781695 1.00 ALPI (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2778928 0.87 ALPI (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9177995 0.84 ALPI (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27626196 0.84 ALPI (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27339210 0.83 CSNK1E (0.44) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27339211 0.83 CSNK1E (0.44) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1063983 0.82 CYP1A2 (0.52) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1063981 0.82 CYP1A2 (0.52) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4795705 0.82 ALPI (0.57) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4795710 0.82 ALPI (0.57) ALPIPKMPTGS1XIAPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120202211-A Cyclic compounds having selective KRAS inhibition over HRAS and NRAS 中外制药株式会社 2025-06-24 CN disclosed
CN-117279933-A Cyclic compounds having selective KRAS inhibition relative to HRAS and NRAS 中外制药株式会社 2023-12-22 CN disclosed
US-20080317670-A1 Compositions Containing, Methods Involving, and Uses of Non-Natural Amino Acids and Polypeptides AMBRX, INC. (US) 2008-12-25 US disclosed
EP-1747020-A2 7-T-BUTOXYIMINOMETHYLCAMPTOTHECIN CONJUGATED IN POSITION 20 WITH INTEGRIN ANTAGONISTS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2007-01-31 EP disclosed
WO-2005110486-A2 7-T-BUTOXYIMINOMETHYLCAMPTOTHECIN CONJUGATED IN POSITION 20 WITH INTEGRIN ANTAGONISTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2005-11-24 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 (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-20080317670-A1 Compositions Containing, Methods Involving, and Uses of Non-Natural Amino Acids and Polypeptides PTMS, DNPEP, ANPEP ALPI 3972/4885PKM 1184/4885PTGS1 4559/4885

“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.