SCHEMBL3217834

SCHEMBL3217834

CC(C)(C)OC(=O)N1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 11/20 0.59
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
GAA P10253 1/20 0.49
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
ALK Q9UM73 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL10244631 0.87 ENPP2 (0.61) ENPP2KMT2AALDH1A1LMNANPC1
SCHEMBL19145333 0.86 KMT2A (0.74) ENPP2KMT2AALDH1A1LMNAMAPT
SCHEMBL15134815 0.85 GAA (0.67) ENPP2KMT2AALDH1A1LMNANPC1
SCHEMBL29613561 0.84 GAA (0.55) KMT2AALDH1A1LMNAMAPTGAA
SCHEMBL29129166 0.84 GAA (0.55) KMT2AALDH1A1LMNAMAPTGAA
SCHEMBL10282610 0.83 ENPP2 (0.62) ENPP2KMT2AALDH1A1LMNANPC1
SCHEMBL26378415 0.83 CHRNB4 (0.54) ALDH1A1LMNAMAPTKDM4EPKM
SCHEMBL402564 0.82 SIGMAR1 (0.59) KMT2AALDH1A1LMNAMAPTKDM4E
SCHEMBL28815184 0.82 MAPT (0.55) KMT2AALDH1A1LMNAMAPTNPC1
SCHEMBL3216431 0.82 GAA (0.53) ENPP2KMT2AALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023023531-A1 ESTROGEN RECEPTOR DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2023-02-23 WO disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
EP-1824834-A1 META-SUBSTITUTED THIAZOLIDINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-08-29 EP disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
WO-2006063806-A1 META-SUBSTITUTED THIAZOLIDINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-06-22 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 (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-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG PLK2, PDXK, PLK4 ENPP2 3281/4885KMT2A 3012/4885ALDH1A1 1600/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 ENPP2 3054/4885KMT2A 2543/4885ALDH1A1 997/4885

“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.