SCHEMBL16339758

SCHEMBL16339758

CC(C)(C)OC(=O)n1c(C(=O)O)cc2cccc(F)c21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.46
NR1H2 P55055 13/20 0.41
NR1H3 Q13133 3/20 0.41
ACLY P53396 1/20 0.39
MCL1 Q07820 4/20 0.39
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL29631908 0.87 NR1H2 (0.39) CCR2NR1H2NR1H3ACLY
SCHEMBL19013556 0.87 NR1H2 (0.39) CCR2NR1H2NR1H3ACLY
SCHEMBL24112569 0.82 ACLY (0.34) NR1H2NR1H3ACLYMCL1
SCHEMBL24020795 0.82 CCR9 (0.36) CCR2NR1H2NR1H3ACLY
SCHEMBL30310674 0.82 ACLY (0.34) NR1H2NR1H3ACLYMCL1
SCHEMBL22462567 0.82 CCR2 (0.37) CCR2NR1H2NR1H3ACLY
SCHEMBL20846321 0.81 NR1H2 (0.40) CCR2NR1H2NR1H3ACLYCA12
SCHEMBL29631833 0.81 NR1H2 (0.42) CCR2NR1H2NR1H3ACLYCA12
SCHEMBL4242068 0.81 NR1H2 (0.40) CCR2NR1H2NR1H3ACLYCA12
SCHEMBL24554901 0.80 NR1H2 (0.38) CCR2NR1H2NR1H3ACLYCA12

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
EP-3013333-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME (US) 2019-03-27 EP disclosed
EP-3013333-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME (US) 2019-03-27 EP disclosed
US-9549921-B2 Heterocyclic compounds and methods of use thereof for the treatment of hepatitis C MERCK SHARP & DOHME CORP. (US) 2017-01-24 US disclosed
US-20160143895-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2016-05-26 US disclosed
EP-3013333-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C Merck Sharp & Dohme Corp. (US) 2016-05-04 EP disclosed
WO-2014205592-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2014-12-31 WO disclosed
WO-2014209729-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2014-12-31 WO disclosed
WO-2014209729-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2014-12-31 WO disclosed
WO-2014205592-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2014-12-31 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 (1 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-20160143895-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C HCCS, HAVCR2, CPS1 CCR2 1637/4885NR1H2 353/4885NR1H3 275/4885

“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.