SCHEMBL3834553

SCHEMBL3834553

COC(=O)c1nc(-c2cscc2NC(=O)NS(=O)(=O)c2cccc3ccccc23)nc(O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.41
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
P4HTM Q9NXG6 1/20 0.37
TSHR P16473 1/20 0.36
NPY5R Q15761 1/20 0.36
HCRTR1 O43613 1/20 0.35
MAPK14 Q16539 2/20 0.35
PGAM1 P18669 1/20 0.35
USP2 O75604 1/20 0.34
USP8 P40818 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
SLC16A3 O15427 1/20 0.33

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
SCHEMBL3834522 0.90 TSHR (0.43) NLRP3P4HTMTSHRNPY5RHCRTR1
SCHEMBL13647264 0.88 ALDH1A1 (0.41) HTTALDH1A1
SCHEMBL13647158 0.86 LMNA (0.39) NLRP3MEN1LMNAHTTKMT2A
SCHEMBL3834524 0.84 P4HTM (0.39) NLRP3MAPK8MAPK9MAPK10P4HTM
SCHEMBL3834551 0.79 PRSS1 (0.36) MAPK8MAPK9MAPK10TSHRHCRTR1
SCHEMBL3838223 0.72 ATR (0.37) MAPK8MAPK9MAPK10
SCHEMBL5124079 0.71 CA12 (0.44) TSHRMEN1KMT2AALDH1A1
SCHEMBL13647014 0.69 NPSR1 (0.37) MEN1LMNAKMT2AALDH1A1
SCHEMBL11639470 0.67 KDM4E (0.48) NLRP3P4HTMTSHRHCRTR1ALDH1A1
SCHEMBL5116561 0.66 KDM4E (0.44) ALDH1A1

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-1309566-B1 DIHYDROXYPYRIMIDINE CARBOXYLIC ACIDS AS VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-10-07 EP disclosed
US-7091209-B2 Dihydroxypyridmidine carboxylic acids as viral polymerase inhibitors MERCK & CO., INC. (US) 2006-08-15 US disclosed
US-20040106627-A1 Dihydroxypyrimidine carboxylic acids as viral polymerase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECULARE P ANGELETTI SPA (IT) 2004-06-03 US disclosed
EP-1309566-A1 DIHYDROXYPYRIMIDINE CARBOXYLIC ACIDS AS VIRAL POLYMERASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2003-05-14 EP disclosed
WO-2002006246-A1 DIHYDROXYPYRIMIDINE CARBOXYLIC ACIDS AS VIRAL POLYMERASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2002-01-24 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-20040106627-A1 Dihydroxypyrimidine carboxylic acids as viral polymerase inhibitors DPYD, DUT, UMPS NLRP3 2913/4885MAPK8 2064/4885MAPK9 2035/4885

“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.