SCHEMBL2401899

SCHEMBL2401899

CN(CCOS(C)(=O)=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
CA2 P00918 1/20 0.47
F2 P00734 2/20 0.43
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
NR3C2 P08235 3/20 0.38
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NR3C1 P04150 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
SCHEMBL11692853 0.86 CA12 (0.45) CA12CA9CA2F2CRHBP
SCHEMBL11042757 0.84 CA12 (0.46) CA12CA9CA2F2HTT
SCHEMBL9984770 0.84 NR3C2 (0.44) CA12CA9CA2TSHRKDM4E
SCHEMBL22804712 0.83 TSHR (0.38) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL5656552 0.83 KDM4E (0.36) TSHRKDM4EUSP2ALDH1A1LMNA
SCHEMBL1284402 0.83 F2 (0.47) F2TSHRKDM4EUSP2ALDH1A1
SCHEMBL5258722 0.80 KMT2A (0.45) CA12CA9CA2F2USP2
SCHEMBL5774414 0.79 CHRNB2 (0.39) CA9CA2TSHRALDH1A1NR3C1
SCHEMBL10156722 0.79 F2 (0.37) CA12CA9CA2F2TSHR
SCHEMBL5258718 0.78 CA12 (0.41) CA12CA9CA2F2KDM4E

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-2011106929-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 CA12 4630/4885CA9 3934/4885CA2 4727/4885

“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.