SCHEMBL594646

SCHEMBL594646

CCOC(=O)[C@@H]1CCC[C@H]1C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALDH1A1 P00352 4/20 0.44
PPM1B O75688 1/20 0.44
PTPN1 P18031 1/20 0.44
PPP1CC P36873 1/20 0.44
MAPT P10636 3/20 0.43
TLR4 O00206 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL6899600 1.00 TP53 (0.48) TP53CYP3A4ALDH1A1PPM1BPTPN1
SCHEMBL594645 1.00 TP53 (0.48) TP53CYP3A4ALDH1A1PPM1BPTPN1
SCHEMBL594647 1.00 TP53 (0.48) TP53CYP3A4ALDH1A1PPM1BPTPN1
SCHEMBL28405577 0.95 TP53 (0.53) TP53CYP3A4ALDH1A1PPM1BPTPN1
SCHEMBL6900183 0.95 TP53 (0.53) TP53CYP3A4ALDH1A1PPM1BPTPN1
SCHEMBL234644 0.95 TP53 (0.53) TP53CYP3A4ALDH1A1PPM1BPTPN1
SCHEMBL13011542 0.95 TP53 (0.53) TP53CYP3A4ALDH1A1PPM1BPTPN1
SCHEMBL1169984 0.93 TP53 (0.52) TP53CYP3A4ALDH1A1PPM1BPTPN1
SCHEMBL1170182 0.93 TP53 (0.52) TP53CYP3A4ALDH1A1PPM1BPTPN1
SCHEMBL1169988 0.93 TP53 (0.52) TP53CYP3A4ALDH1A1PPM1BPTPN1

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
US-20220055977-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-02-24 US disclosed
US-20220055977-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2022-02-24 US disclosed
US-11130726-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-09-28 US disclosed
US-11130726-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-09-28 US disclosed
US-20200087239-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-03-19 US disclosed
WO-2017035271-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-02 WO disclosed
US-8153644-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8115011-B2 (S)-3-{5-[(1-Pyridin-2-yl-3-trifluoromethyl-1H-pyrazole-4-carbonyl)-amino]-pyridin-2-ylamino}-pyrrolidine-1-carboxylic acid ethyl ester; obesity, type II diabetes mellitus and metabolic syndrome MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-8058299-B2 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 US disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 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 (7 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-11130726-B2 Therapeutic compounds and methods of use thereof RDX, C3AR1, LPXN TP53 1398/4885CYP3A4 544/4885ALDH1A1 576/4885
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT TP53 4688/4885CYP3A4 1894/4885ALDH1A1 573/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT TP53 4688/4885CYP3A4 1894/4885ALDH1A1 573/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT TP53 4688/4885CYP3A4 1894/4885ALDH1A1 573/4885
US-20200087239-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C3AR1, LPXN TP53 1398/4885CYP3A4 544/4885ALDH1A1 576/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT TP53 4688/4885CYP3A4 1894/4885ALDH1A1 573/4885
US-20220055977-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF REN, RDX, MC2R TP53 2338/4885CYP3A4 2691/4885ALDH1A1 788/4885

“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.