SCHEMBL3834522

SCHEMBL3834522

O=C(Nc1cscc1-c1nc(O)c(O)c(C(=O)O)n1)NS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
P4HTM Q9NXG6 1/20 0.42
NLRP3 Q96P20 1/20 0.39
SLC16A3 O15427 5/20 0.39
NPY5R Q15761 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
PFKFB3 Q16875 1/20 0.37
POLB P06746 1/20 0.36
PGAM1 P18669 1/20 0.36
MCL1 Q07820 2/20 0.35
ACLY P53396 1/20 0.35
HCRTR1 O43613 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 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
SCHEMBL3834553 0.90 NLRP3 (0.41) TSHRP4HTMNLRP3SLC16A3NPY5R
SCHEMBL3834524 0.86 P4HTM (0.39) TSHRP4HTMNLRP3SLC16A3NPY5R
SCHEMBL13647264 0.78 ALDH1A1 (0.41) ALDH1A1HTTPOLBACLY
SCHEMBL13647158 0.77 LMNA (0.39) NLRP3ALDH1A1HTT
SCHEMBL5122403 0.77 ALDH1A1 (0.39) P4HTMNLRP3ALDH1A1
SCHEMBL5118177 0.75 MAOB (0.38) MCL1HCRTR1
SCHEMBL3835094 0.71 RAB9A (0.44) ALDH1A1HTT
SCHEMBL4025934 0.69 ERCC1 (0.42) ALDH1A1
SCHEMBL3834551 0.69 PRSS1 (0.36) TSHRALDH1A1HTTHCRTR1
SCHEMBL9180166 0.65 TSHR (0.59) TSHRP4HTMSLC16A3ALDH1A1HTT

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 claimed
EP-1309566-B1 DIHYDROXYPYRIMIDINE CARBOXYLIC ACIDS AS VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-10-07 EP disclosed
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

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 TSHR 3847/4885P4HTM 397/4885NLRP3 2913/4885

“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.