SCHEMBL2401905

SCHEMBL2401905

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
PRNP P04156 1/20 0.52
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 5/20 0.48
MAPT P10636 4/20 0.48
GAA P10253 2/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HTT P42858 1/20 0.48
RCE1 Q9Y256 1/20 0.48
ALOX5 P09917 6/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 1/20 0.46
PTGS2 P35354 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL2402089 0.89 CACNA1C (0.44)
SCHEMBL2402762 0.86 MEN1 (0.55) MEN1KMT2APRNPKDM4EALDH1A1
SCHEMBL2402437 0.86 ANO1 (0.46)
SCHEMBL2530610 0.85 ALOX5 (0.55) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL2402562 0.83 CACNA1C (0.55)
SCHEMBL2471263 0.83 TP53 (0.49) MEN1KMT2APRNPKDM4EALDH1A1
SCHEMBL1918205 0.82 MEN1 (0.48) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL2402739 0.82 MEN1 (0.53) MEN1KMT2APRNPKDM4EALDH1A1
SCHEMBL2401880 0.82 MEN1 (0.53) MEN1KMT2APRNPKDM4EALDH1A1
SCHEMBL2402820 0.81 MEN1 (0.59) MEN1KMT2APRNPKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20120328569-A1 INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE HCCS, EIF2AK2, RNGTT MEN1 4851/4885KMT2A 3920/4885PRNP 2771/4885

“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.