SCHEMBL29408465

SCHEMBL29408465

NC[C@H](Cc1ccc(O)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.55
▸ EPHX2 P34913 1/20 0.49
▸ CASP3 P42574 2/20 0.44
▸ CTRB1 P17538 2/20 0.43
▸ MDM4 O15151 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ SLC17A5 Q9NRA2 1/20 0.42
▸ PTPN1 P18031 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
SCHEMBL18375211 1.00 KMT2A (0.55) KMT2AEPHX2CASP3CTRB1MDM4
SCHEMBL20369405 1.00 KMT2A (0.55) KMT2AEPHX2CASP3CTRB1MDM4
SCHEMBL24305580 0.89 KMT2A (0.50) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL29426426 0.89 KMT2A (0.50) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL19080574 0.83 KMT2A (0.59) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL1769671 0.83 MDM4 (0.55) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL1486272 0.83 MDM4 (0.55) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL29367928 0.83 MDM4 (0.55) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL29367649 0.83 MDM4 (0.55) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL30977663 0.83 MDM4 (0.55) KMT2AEPHX2CASP3MDM4TP53

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-11484525-B2 Mu opioid receptor modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-11-01 — — US disclosed
EP-3319444-B1 MU OPIOID RECEPTOR MODULATORS UNIV CALIFORNIA (US) 2022-03-09 — — EP 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-11484525-B2 Mu opioid receptor modulators OPRM1, OPRK1, OPRD1 KMT2A 3011/4885EPHX2 1451/4885CASP3 4802/4885

“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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