SCHEMBL3374088

SCHEMBL3374088

COC(=O)[C@H](CO)NC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
CTSK P43235 4/20 0.38
CTSS P25774 3/20 0.38
MME P08473 1/20 0.38
CA12 O43570 2/20 0.37
CA14 Q9ULX7 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 1/20 0.36

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
SCHEMBL5014045 1.00 KLK5 (0.41) KLK5TDP1MEN1KMT2AGAA
SCHEMBL24130603 0.88 KLK5 (0.41) KLK5TDP1MEN1KMT2AGAA
SCHEMBL24130607 0.87 KLK5 (0.40) KLK5TDP1MEN1KMT2AGAA
SCHEMBL24130635 0.87 KLK5 (0.40) KLK5TDP1MEN1KMT2AGAA
SCHEMBL16790408 0.86 MEN1 (0.46) TDP1MEN1KMT2AGAACTSK
SCHEMBL16765446 0.86 MEN1 (0.46) TDP1MEN1KMT2AGAACTSK
SCHEMBL18764728 0.85 TDP1 (0.45) KLK5TDP1MEN1KMT2AGAA
SCHEMBL2668380 0.85 CTSL (0.49) TDP1MEN1KMT2AGAACTSK
SCHEMBL3617926 0.84 CYP1A2 (0.47) KLK5CTSKCTSSCA12CA14
SCHEMBL313779 0.84 CYP1A2 (0.47) KLK5CTSKCTSSCA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116410145-A Preparation method of MRTX849 intermediate 上海泓博智源医药股份有限公司 2023-07-11 CN disclosed
WO-2016144665-A1 METHOD FOR PREPARING LARGAZOLE ANALOGS AND USES THEREOF COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2016-09-15 WO disclosed
US-9186402-B2 Method for preparing largazole analogs and uses thereof Colorado State University Research University (US) 2015-11-17 US disclosed
US-8513290-B2 Method for preparing largazole analogs and uses thereof COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-08-20 US disclosed
US-20120264794-A1 Method for Preparing Largazole Analogs and Uses Thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-10-18 US disclosed
US-8217076-B2 Method for preparing largazole analogs and uses thereof COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-07-10 US disclosed
EP-1752455-B1 Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2010-11-10 EP disclosed
US-7807694-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2010-10-05 US disclosed
US-20100029731-A1 Method for preparing largazole analogs and uses thereof COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-02-04 US disclosed
WO-2010009334-A1 METHOD FOR PREPARING LARGAZOLE ANALOGS AND USES THEREOF COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-01-21 WO disclosed
EP-2030981-A1 Compounds for proteasome enzyme inhibition Proteolix, Inc. (US) 2009-03-04 EP disclosed
EP-1752455-A2 Chemokine receptor binding heterocyclic compounds ANORMED INC. (CA) 2007-02-14 EP disclosed
US-20060252795-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-11-09 US disclosed
US-7091217-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2006-08-15 US disclosed
EP-1317451-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2006-08-09 EP disclosed
US-20040171638-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-09-02 US disclosed
US-6734191-B2 PREFERABLY TERTIARY AMINES COMPRISING TETRAHYDROQUINOLINE AND BENZIMIDAZOLE; USE TREATING HUMAN IMMUNODEFICIENCY VIRUS (HIV) AND FELINE IMMUNODEFICIENCY VIRUS (FIV) ANORMED, INC. (CA) 2004-05-11 US disclosed
US-20030028022-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-02-06 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 (5 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-20100029731-A1 Method for preparing largazole analogs and uses thereof CYP51A1, ADPRS, LPXN KLK5 507/4885TDP1 1755/4885MEN1 578/4885
US-20060252795-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 KLK5 3150/4885TDP1 4360/4885MEN1 4602/4885
US-20040171638-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 KLK5 3150/4885TDP1 4360/4885MEN1 4602/4885
US-20030028022-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 KLK5 3150/4885TDP1 4360/4885MEN1 4602/4885
US-20120264794-A1 Method for Preparing Largazole Analogs and Uses Thereof CYP51A1, ADPRS, LPXN KLK5 507/4885TDP1 1755/4885MEN1 578/4885

“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.