SCHEMBL2402089

SCHEMBL2402089

COC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(Br)cc12

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.44

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
SCHEMBL2401905 0.89 MEN1 (0.52)
SCHEMBL2402437 0.89 ANO1 (0.46) CACNA1C
SCHEMBL2402562 0.88 CACNA1C (0.55) CACNA1C
SCHEMBL12337486 0.88 CACNA1C (0.44) CACNA1C
SCHEMBL2401964 0.88 ATM (0.42) CACNA1C
SCHEMBL14764738 0.82 CACNA1C (0.42) CACNA1C
SCHEMBL2400793 0.82 MEN1 (0.42)
SCHEMBL2468878 0.80 MEN1 (0.46)
SCHEMBL2402444 0.80 ATM (0.46)
SCHEMBL14327846 0.79 ATM (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2753325-B1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-09-19 EP disclosed
US-9265773-B2 Tetracyclic heterocycle compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-02-23 US disclosed
US-9265773-B2 Tetracyclic heterocycle compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-02-23 US disclosed
US-9265773-B2 Tetracyclic heterocycle compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-02-23 US disclosed
US-20140213571-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2014-07-31 US disclosed
WO-2013033971-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 WO disclosed
WO-2013033971-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 WO disclosed
EP-2542545-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE Merck Sharp & Dohme Corp. (US) 2013-01-09 EP disclosed
US-20120328569-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. 2012-12-27 US disclosed
US-20120328569-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. 2012-12-27 US disclosed
WO-2011106992-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. (US) 2011-09-09 WO disclosed
WO-2011106992-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. (US) 2011-09-09 WO disclosed
WO-2011106986-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. (US) 2011-09-09 WO disclosed
WO-2011106929-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. (US) 2011-09-09 WO disclosed
WO-2011106929-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. (US) 2011-09-09 WO disclosed
WO-2011106986-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE MERCK SHARP & DOHME CORP. (US) 2011-09-09 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 (2 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-20120328569-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE HCCS, EIF2AK2, RNGTT CACNA1C 4546/4885
US-20140213571-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HCCS, HAVCR2, EIF2AK2 CACNA1C 4368/4885

“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.