SCHEMBL3834699

SCHEMBL3834699

CCOC(=O)NS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
HPGD P15428 1/20 0.57
CNR2 P34972 1/20 0.50
KDM4E B2RXH2 2/20 0.49
HCRTR1 O43613 1/20 0.49
TSHR P16473 1/20 0.47
F2 P00734 2/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
NR1D1 P20393 1/20 0.46
P4HTM Q9NXG6 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
HIF1A Q16665 1/20 0.46
CDC25B P30305 2/20 0.46
CDC25A P30304 1/20 0.46
CDC25C P30307 1/20 0.46
GLA P06280 1/20 0.46

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
SCHEMBL6850548 0.85 HCRTR1 (0.54) ALDH1A1KDM4EHCRTR1TSHRF2
SCHEMBL11851628 0.82 GAA (0.49) ALDH1A1TSHRLMNACYP1A2CYP2D6
SCHEMBL10420166 0.81 ALDH1A1 (0.57) ALDH1A1HPGDCNR2KDM4EHCRTR1
SCHEMBL27797840 0.81 CDC25B (0.44) ALDH1A1HPGDKDM4ECDC25BGLA
SCHEMBL9124654 0.80 GAA (0.44) ALDH1A1HPGDKDM4ETSHRLMNA
SCHEMBL9180166 0.80 TSHR (0.59) ALDH1A1KDM4EHCRTR1TSHRF2
SCHEMBL9074960 0.79 TSHR (0.47) ALDH1A1KDM4ETSHRLMNACYP2D6
SCHEMBL9789350 0.79 HTT (0.53) ALDH1A1KDM4EHIF1APOLBHTR6
SCHEMBL7318545 0.79 POLB (0.55) ALDH1A1HPGDKDM4ETSHRPOLB
SCHEMBL28748514 0.79 ALDH1A1 (0.52) ALDH1A1HPGDCNR2KDM4EHCRTR1

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 6 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
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 ALDH1A1 23/4885HPGD 809/4885CNR2 4479/4885

“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.