SCHEMBL1463201

SCHEMBL1463201

CCC(C)(Cl)OC(=O)OC(C)(Cl)CC

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
SOAT1 P35610 1/20 0.31

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
SCHEMBL28488019 0.93 HDAC6 (0.34)
SCHEMBL17193578 0.88 CA1 (0.32) LMNA
SCHEMBL1463203 0.82
SCHEMBL7207172 0.80 LMNA (0.42) ALDH1A1LMNAHSD17B10GAA
SCHEMBL611230 0.76 ALDH1A1 (0.35) ALDH1A1SOAT1
SCHEMBL11331559 0.72 ALDH1A1 (0.36) ALDH1A1GAASOAT1
SCHEMBL475144 0.72 TSHR (0.43) ALDH1A1GAASOAT1
SCHEMBL10710350 0.71 TSHR (0.32) ALDH1A1GAA
SCHEMBL2347789 0.71 TSHR (0.32) ALDH1A1GAA
SCHEMBL17791794 0.70 ALDH1A1 (0.36) ALDH1A1SOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102026966-B Novel amino acid derivatives, preparation method and therapeutic use thereof PHARMALEADS 2014-02-12 CN disclosed
US-8466309-B2 Amino acid derivatives, method for preparing same, and therapeutic use thereof KOS THERAPEUTICS, INC. 2013-06-18 US disclosed
US-8247608-B2 Aminoacid derivatives containing a disulfanyl group in the form of mixed disulfanyl and aminopeptidase N inhibitors PHARMALEADS (FR) 2012-08-21 US disclosed
US-8247609-B2 Aminoacid derivatives containing a disulfanyl group in the form of mixed disulfanyl and aminopeptidase N inhibitors Pharamleads (FR) 2012-08-21 US disclosed
EP-1940818-B1 AMINOACID DERIVATIVES CONTAINING A DISULFANYL GROUP IN THE FORM OF MIXED DISULFANYL AND AMINOPEPTIDASE N INHIBITORS PHARMALEADS (FR) 2011-08-24 EP disclosed
CN-102026966-A Novel amino acid derivatives, preparation method and therapeutic use thereof PHARMALEADS 2011-04-20 CN disclosed
US-20110071218-A1 NOVEL AMINO ACID DERIVATIVES, METHOD FOR PREPARING SAME, AND THERAPEUTIC USE THEREOF PHARMALEADS (FR) 2011-03-24 US disclosed
US-20090131509-A1 Aminoacid Derivatives Containing a Disulfanyl Group in the form of Mixed Disulfanyl and Aminopeptidase N Inhibitors PHARMALEADS (FR) 2009-05-21 US disclosed
US-20090012153-A1 AMINOACID DERIVATIVES CONTAINING A DISULFANYL GROUP IN THE FORM OF MIXED DISULFANYL AND AMINOPEPTIDASE N INHIBITORS PHARMALEADS (FR) 2009-01-08 US disclosed
EP-1940818-A1 AMINOACID DERIVATIVES CONTAINING A DISULFANYL GROUP IN THE FORM OF MIXED DISULFANYL AND AMINOPEPTIDASE N INHIBITORS Pharmaleads (FR) 2008-07-09 EP disclosed
WO-2007048787-A1 AMINOACID DERIVATIVES CONTAINING A DISULFANYL GROUP IN THE FORM OF MIXED DISULFANYL AND AMINOPEPTIDASE N INHIBITORS PHARMALEADS (FR) 2007-05-03 WO disclosed
US-4826832-A BACTERICIDES CIBA-GEIGY CORPORATION (US) 1989-05-02 US disclosed
US-4794109-A 6-hydroxy-lower alkylpenem compounds, pharmaceutical preparations that contain these compounds, and the use of the latter CIBA-GEIGY CORPORATION (US) 1988-12-27 US disclosed
US-4656165-A Aminomethyl penem compounds CIBA-GEIGY CORPORATION (US) 1987-04-07 US disclosed
US-4616007-A PENICILLINS CIBA-GEIGY CORPORATION (US) 1986-10-07 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 (3 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-20090131509-A1 Aminoacid Derivatives Containing a Disulfanyl Group in the form of Mixed Disulfanyl and Aminopeptidase N Inhibitors HRH4, OPRL1, CNR2 ALDH1A1 617/4885LMNA 4779/4885HSD17B10 684/4885
US-20090012153-A1 AMINOACID DERIVATIVES CONTAINING A DISULFANYL GROUP IN THE FORM OF MIXED DISULFANYL AND AMINOPEPTIDASE N INHIBITORS HRH4, CNR2, OPRM1 ALDH1A1 591/4885LMNA 4699/4885HSD17B10 689/4885
US-20110071218-A1 NOVEL AMINO ACID DERIVATIVES, METHOD FOR PREPARING SAME, AND THERAPEUTIC USE THEREOF CNR1, OPRD1, OPRM1 ALDH1A1 2630/4885LMNA 4557/4885HSD17B10 710/4885

“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.