SCHEMBL14764103

SCHEMBL14764103

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

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53
KCNH2 Q12809 2/20 0.48

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
SCHEMBL2402347 0.92 CYP2C9 (0.52) CYP2C9CYP3A4CYP2C19KCNH2
SCHEMBL17522884 0.91 CYP3A4 (0.54) CYP2C9CYP3A4CYP2C19KCNH2
SCHEMBL2402951 0.88 CYP2C9 (0.54) CYP2C9CYP3A4CYP2C19KCNH2
SCHEMBL2400436 0.88 CYP3A4 (0.49) CYP2C9CYP3A4CYP2C19KCNH2
SCHEMBL2402081 0.87 CYP2C9 (0.52) CYP2C9CYP3A4CYP2C19KCNH2
SCHEMBL2401940 0.87 CYP2C9 (0.52) CYP2C9CYP3A4CYP2C19KCNH2
SCHEMBL2404011 0.87 CYP3A4 (0.52) CYP2C9CYP3A4CYP2C19KCNH2
SCHEMBL2401917 0.87 CYP3A4 (0.52) CYP2C9CYP3A4CYP2C19KCNH2
SCHEMBL2402812 0.85 CYP2C9 (0.55) CYP2C9CYP3A4CYP2C19KCNH2
SCHEMBL2402562 0.85 CACNA1C (0.55)

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 7 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

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-20140213571-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HCCS, HAVCR2, EIF2AK2 CYP2C9 520/4885CYP3A4 713/4885CYP2C19 674/4885

“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.