SCHEMBL118209

SCHEMBL118209

CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.52
MDM4 O15151 2/20 0.49
TP53 P04637 2/20 0.49
KMT2A Q03164 2/20 0.49
PIN1 Q13526 1/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
RAB9A P51151 1/20 0.47
MDM2 Q00987 1/20 0.46
EPHX2 P34913 1/20 0.46

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
SCHEMBL29355117 1.00 CASP3 (0.52) CASP3MDM4TP53KMT2APIN1
SCHEMBL29398212 1.00 CASP3 (0.52) CASP3MDM4TP53KMT2APIN1
SCHEMBL30896049 1.00 CASP3 (0.52) CASP3MDM4TP53KMT2APIN1
SCHEMBL1486287 1.00 CASP3 (0.52) CASP3MDM4TP53KMT2APIN1
SCHEMBL1486214 1.00 CASP3 (0.52) CASP3MDM4TP53KMT2APIN1
SCHEMBL119497 1.00 CASP3 (0.52) CASP3MDM4TP53KMT2APIN1
SCHEMBL30896048 1.00 CASP3 (0.52) CASP3MDM4TP53KMT2APIN1
SCHEMBL6038102 1.00 CASP3 (0.52) CASP3MDM4TP53KMT2APIN1
SCHEMBL1564185 1.00 CASP3 (0.52) CASP3MDM4TP53KMT2APIN1
SCHEMBL29398684 1.00 CASP3 (0.52) CASP3MDM4TP53KMT2APIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020252713-A1 MODIFIED HYDROPHOBIC AUXILIARY MATERIAL, PREPARATION METHOD THEREFOR AND USE THEREOF 浙江智达药业有限公司 2020-12-24 WO claimed
CN-108440654-B Synthesis method of antibacterial active cyclic hexapeptide Thermoactinamide A 暨南大学 2020-09-04 CN claimed
EP-4512818-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS Chugai Seiyaku Kabushiki Kaisha (JP) 2025-02-26 EP disclosed
US-20240158446-A1 CYCLIC COMPOUND HAVING SELECTIVE INHIBITORY ACTION ON KRAS OVER HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-16 US disclosed
EP-4309741-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-01-24 EP disclosed
CN-117120458-A Peptide ligands targeting carbonic anhydrase IX, peptide structures comprising the same, and uses thereof C-比奥麦克斯有限公司 2023-11-24 CN disclosed
US-20230174576-A1 BETA-STRAND BRIDGE PEPTIDE KYOTO UNIVERSITY (JP) 2023-06-08 US disclosed
WO-2020252713-A1 MODIFIED HYDROPHOBIC AUXILIARY MATERIAL, PREPARATION METHOD THEREFOR AND USE THEREOF 浙江智达药业有限公司 2020-12-24 WO disclosed
CN-108440654-B Synthesis method of antibacterial active cyclic hexapeptide Thermoactinamide A 暨南大学 2020-09-04 CN disclosed
US-8895231-B2 Patterning process and resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-25 US disclosed
US-8895231-B2 Patterning process and resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-25 US disclosed
US-20120058428-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-08 US disclosed
US-20120058428-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-08 US disclosed
CN-102037092-A Amino acid generator and polysiloxane composition containing the same NISSAN CHEMICAL IND LTD 2011-04-27 CN 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-20240158446-A1 CYCLIC COMPOUND HAVING SELECTIVE INHIBITORY ACTION ON KRAS OVER HRAS AND NRAS KRAS, HRAS, NRAS CASP3 3300/4885MDM4 476/4885TP53 10/4885
US-20230174576-A1 BETA-STRAND BRIDGE PEPTIDE IAPP, SPPL2B, VIP CASP3 2595/4885MDM4 1478/4885TP53 566/4885

“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.