SCHEMBL31098370

SCHEMBL31098370

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.47
▸ PIN1 Q13526 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MDM4 O15151 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ EPHX2 P34913 1/20 0.43

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
SCHEMBL30887592 0.96 CASP3 (0.49) CASP3PIN1KMT2A
SCHEMBL31488367 0.92 CASP3 (0.43) CASP3PIN1KMT2AMDM4TP53
SCHEMBL30474403 0.91 KMT2A (0.49) CASP3PIN1KMT2ACYP3A4CYP2D6
SCHEMBL25268021 0.91 KMT2A (0.49) CASP3PIN1KMT2ACYP3A4CYP2D6
SCHEMBL25213324 0.91 KMT2A (0.49) CASP3PIN1KMT2ACYP3A4CYP2D6
SCHEMBL8210873 0.89 CASP3 (0.48) CASP3PIN1KMT2AMDM4TP53
SCHEMBL28522099 0.89 CASP3 (0.48) CASP3PIN1KMT2AMDM4TP53
SCHEMBL14019298 0.89 POLB (0.51) CASP3PIN1KMT2ACYP3A4CYP2D6
SCHEMBL31546599 0.89 POLB (0.51) CASP3PIN1KMT2ACYP3A4CYP2D6
SCHEMBL29477082 0.88 CASP3 (0.47) CASP3PIN1KMT2ACYP3A4CYP2D6

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-20260001836-A1 METHODS FOR PREPARING (2S,3R,4R)-4,5-DIHYDROXYISOLEUCINE DERIVATIVE AND INTERMEDIATES THEREOF UNIV INNER MONGOLIA (CN) 2026-01-01 — — US disclosed
WO-2024188374-A2 PREPARATION METHOD FOR (2S,3R,4R)-4,5-DIHYDROXY ISOLEUCINE DERIVATIVE AND INTERMEDIATE 内蒙古大学 2024-09-19 — — 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-20260001836-A1 METHODS FOR PREPARING (2S,3R,4R)-4,5-DIHYDROXYISOLEUCINE DERIVATIVE AND INTERMEDIATES THEREOF GRIA4, GRIK4, DHPS CASP3 3859/4885PIN1 3903/4885KMT2A 3354/4885

“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.

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