SCHEMBL3149446

SCHEMBL3149446

CCOC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.54
PPARA Q07869 1/20 0.54
CACNA1B Q00975 1/20 0.53
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
CTSS P25774 6/20 0.49
CTSK P43235 5/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
SCN9A Q15858 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
KLK5 Q9Y337 1/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
HDAC8 Q9BY41 1/20 0.47
GLA P06280 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL17553141 0.91 PPARG (0.57) PPARGPPARACACNA1BITGB3ITGA2B
SCHEMBL5408855 0.91 PPARG (0.57) PPARGPPARACACNA1BITGB3ITGA2B
SCHEMBL13402356 0.91 PPARG (0.57) PPARGPPARACACNA1BITGB3ITGA2B
SCHEMBL5408845 0.91 PPARG (0.57) PPARGPPARACACNA1BITGB3ITGA2B
SCHEMBL8366868 0.90 ITGB3 (0.57) ITGB3ITGA2BCTSSCTSKCYP1A2
SCHEMBL27700285 0.90 ITGB3 (0.57) ITGB3ITGA2BCTSSCTSKCYP1A2
SCHEMBL8366834 0.90 ITGB3 (0.57) ITGB3ITGA2BCTSSCTSKCYP1A2
SCHEMBL20045974 0.88 PPARG (0.53) PPARGPPARAITGB3ITGA2BCTSS
SCHEMBL14803767 0.88 PPARG (0.53) PPARGPPARAITGB3ITGA2BCTSS
SCHEMBL7260689 0.87 CTSS (0.63) ITGB3ITGA2BCTSSCTSKCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022167087-A1 PEPTIDASE ENHANCED CYTOTOXIC DIPEPTIDES ONCOPEPTIDES AB (SE) 2022-08-11 WO disclosed
EP-1290011-B1 MELPHALAN DERIVATIVES AND THEIR USE AS CANCER CHEMOTHERAPEUTIC DRUGS ONCOPEPTIDES AB (SE) 2010-02-24 EP disclosed
US-6992207-B2 Melphalan derivatives and their use as cancer chemotherapeutic drugs ONCOPEPTIDES AB (SE) 2006-01-31 US disclosed
US-20040097421-A1 Melphalan derivatives and their use as cancer chemotherapeutic drugs ONCOPEPTIDES INNOVATION AB (SE) 2004-05-20 US disclosed
EP-1290011-A1 MELPHALAN DERIVATIVES AND THEIR USE AS CANCER CHEMOTHERAPEUTIC DRUGS Oncopeptides AB (SE) 2003-03-12 EP disclosed
WO-2001096367-A1 MELPHALAN DERIVATIVES AND THEIR USE AS CANCER CHEMOTHERAPEUTIC DRUGS ONCOPEPTIDES AB (SE) 2001-12-20 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-20040097421-A1 Melphalan derivatives and their use as cancer chemotherapeutic drugs MCL1, LNPEP, MYADM PPARG 4666/4885PPARA 3389/4885CACNA1B 4525/4885

“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.