SCHEMBL2372196

SCHEMBL2372196

COC(=O)[C@@H]1CC(=O)C[C@H]1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
MMP2 P08253 1/20 0.43
ANPEP P15144 1/20 0.43
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HIF1A Q16665 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM3 P20309 1/20 0.37

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
SCHEMBL15684230 1.00 BRD4 (0.44) BRD4MMP2ANPEPALDH1A1CYP1A2
SCHEMBL7858138 1.00 BRD4 (0.44) BRD4MMP2ANPEPALDH1A1CYP1A2
SCHEMBL3048242 1.00 BRD4 (0.44) BRD4MMP2ANPEPALDH1A1CYP1A2
SCHEMBL994649 1.00 BRD4 (0.44) BRD4MMP2ANPEPALDH1A1CYP1A2
SCHEMBL18595954 0.91 BRD4 (0.39) BRD4MMP2ANPEPALDH1A1CYP1A2
SCHEMBL3056179 0.91 BRD4 (0.39) BRD4MMP2ANPEPALDH1A1CYP1A2
SCHEMBL25585037 0.91 BRD4 (0.39) BRD4MMP2ANPEPALDH1A1CYP1A2
SCHEMBL9110600 0.91 BRD4 (0.39) BRD4MMP2ANPEPALDH1A1CYP1A2
SCHEMBL12294236 0.91 BRD4 (0.39) BRD4MMP2ANPEPALDH1A1CYP1A2
SCHEMBL9110589 0.91 BRD4 (0.39) BRD4MMP2ANPEPALDH1A1CYP1A2

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10807952-B2 Compounds for treatment of immune inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-10-20 US disclosed
US-20180201580-A1 COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-19 US disclosed
EP-2547645-B1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV JANSSEN PHARMACEUTICALS INC (US) 2018-07-04 EP disclosed
EP-2547645-B1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV JANSSEN PHARMACEUTICALS INC (US) 2018-07-04 EP disclosed
EP-2927217-B1 AMIDE COMPOUND AND PHARMACEUTICAL APPLICATION THEREFOR JAPAN TOBACCO INC (JP) 2018-01-17 EP disclosed
EP-3239129-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV Janssen Pharmaceuticals, Inc. (US) 2017-11-01 EP disclosed
EP-3239129-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MACROCYCLIC PROTEASE INHIBITOR OF HCV Janssen Pharmaceuticals, Inc. (US) 2017-11-01 EP disclosed
EP-2814834-B1 C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-09-13 EP disclosed
EP-2814834-B1 C-3 CYCLOALKENYL TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-09-13 EP disclosed
US-20170152253-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV Janssen Pharmaceuticals, Inc. (US) 2017-06-01 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
WO-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 WO disclosed
US-20090180985-A1 BRIDGED CARBOCYCLIC OXIME HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-07-16 US disclosed
US-20090180985-A1 BRIDGED CARBOCYCLIC OXIME HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-07-16 US disclosed
WO-2009085978-A1 BRIDGED CARBOCYCLIC OXIME HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARCEUTICALS, INC. (US) 2009-07-09 WO disclosed
US-20090149491-A1 CARBOCYCLIC OXIME HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-11 US disclosed
US-20090149491-A1 CARBOCYCLIC OXIME HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-11 US disclosed
US-5998398-A HERPES VIRUS GLAXO WELLCOME INC. (US) 1999-12-07 US disclosed
EP-0886635-A1 2-AMINO-5,6-DICHLOROBENZIMIDAZOLE DERIVATIVES HAVING ANTIVIRAL ACTIVITY GLAXO GROUP LIMITED (GB) 1998-12-30 EP disclosed
WO-1997025316-A1 2-AMINO-5,6-DICHLOROBENZIMIDAZOLE DERIVATIVES HAVING ANTIVIRAL ACTIVITY GLAXO GROUP LIMITED (GB) 1997-07-17 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 (6 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-10807952-B2 Compounds for treatment of immune inflammatory disorders CFD, TFPI, CFH BRD4 3930/4885MMP2 969/4885ANPEP 1203/4885
US-20170152253-A1 Processes and Intermediates for Preparing a Macrocyclic Protease Inhibitor of HCV HAVCR2, RNASE1, CPB1 BRD4 2581/4885MMP2 168/4885ANPEP 141/4885
US-20090180985-A1 BRIDGED CARBOCYCLIC OXIME HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS CPN1, CCNE2, CCNE1 BRD4 1580/4885MMP2 210/4885ANPEP 81/4885
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 BRD4 412/4885MMP2 101/4885ANPEP 1596/4885
US-20180201580-A1 COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS CFD, TFPI, CFH BRD4 3930/4885MMP2 969/4885ANPEP 1203/4885
US-20090149491-A1 CARBOCYCLIC OXIME HEPATITIS C VIRUS SERINE PROTEASE INHIBITORS CCNE2, CYP4A22, CCNE1 BRD4 2205/4885MMP2 274/4885ANPEP 89/4885

“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.