SCHEMBL29609352

SCHEMBL29609352

C=CCOC(=O)[C@@H](NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.43
PTPN1 P18031 8/20 0.43
MDM2 Q00987 1/20 0.40

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
SCHEMBL7885580 1.00 CASP3 (0.43) CASP3PTPN1MDM2
SCHEMBL29608924 0.90 PTPN1 (0.46) CASP3PTPN1MDM2
SCHEMBL30205216 0.88 PTPN1 (0.47) CASP3PTPN1MDM2
SCHEMBL7971614 0.88 PTPN1 (0.47) CASP3PTPN1MDM2
SCHEMBL31720035 0.88 PTPN1 (0.47) CASP3PTPN1MDM2
SCHEMBL30828461 0.87 PTPN1 (0.50) CASP3PTPN1MDM2
SCHEMBL31144246 0.85 MDM2 (0.46) CASP3MDM2
SCHEMBL31094981 0.84 PTPN1 (0.48) CASP3PTPN1MDM2
SCHEMBL20998310 0.84 PTPN1 (0.49) PTPN1MDM2
SCHEMBL5065049 0.83 MDM2 (0.45) CASP3MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12291553-B2 Non-opioid anti-pain medication BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2025-05-06 US disclosed
EP-3914280-B1 NOVEL NON-OPIOID ANTI-PAIN MEDICATION UNIV TEXAS (US) 2024-03-27 EP disclosed
US-20220185855-A1 NOVEL NON-OPIOID ANTI-PAIN MEDICATION BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2022-06-16 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 (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-12291553-B2 Non-opioid anti-pain medication FGF1, FGF2, FGF23 CASP3 2574/4885PTPN1 158/4885MDM2 4505/4885
US-20220185855-A1 NOVEL NON-OPIOID ANTI-PAIN MEDICATION FGF1, OGFR, OPRL1 CASP3 2601/4885PTPN1 315/4885MDM2 4557/4885

“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.