SCHEMBL1753899

SCHEMBL1753899

COC(=O)c1cc2c(Cl)nc(S(C)(=O)=O)nc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.49
CSNK2B P67870 2/20 0.49
CSNK2A1 P68400 2/20 0.49
KDR P35968 1/20 0.49
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PAK4 O96013 1/20 0.39
AKT1 P31749 1/20 0.39
PLK1 P53350 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36

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
SCHEMBL760559 0.81 HSP90AB1 (0.50) CSNK2A2CSNK2BCSNK2A1KDRSMN1; SMN2
SCHEMBL1753901 0.77 CSNK2A2 (0.47) CSNK2A2CSNK2BCSNK2A1KDRLMNA
SCHEMBL1753912 0.76 CSNK2A2 (0.45) CSNK2A2CSNK2BCSNK2A1KDRLMNA
SCHEMBL1937266 0.73 ABL1 (0.52) CSNK2A2CSNK2BCSNK2A1KDRLMNA
SCHEMBL5465006 0.70 CSNK2A2 (0.51) CSNK2A2CSNK2BCSNK2A1KDRLMNA
SCHEMBL28983730 0.70 MEN1 (0.40) CSNK2A2CSNK2BCSNK2A1KDRLMNA
SCHEMBL4909743 0.69 TEAD2 (0.43) LMNAALDH1A1KDM4EMAPTNPC1
SCHEMBL13125847 0.68 CSNK2A2 (0.55) CSNK2A2CSNK2BCSNK2A1KDRPAK4
SCHEMBL28983727 0.68 KDM4E (0.43) CSNK2A2CSNK2BCSNK2A1KDRSMN1; SMN2
SCHEMBL29120717 0.68 KDM4E (0.45) CSNK2A2CSNK2BCSNK2A1KDRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896395-B1 MODIFIED MALONATE DERIVATIVES MERCK SHARP & DOHME (US) 2015-07-15 EP disclosed
EP-1896395-B1 MODIFIED MALONATE DERIVATIVES MERCK SHARP & DOHME (US) 2015-07-15 EP disclosed
US-8158825-B2 Modified malonate derivatives MERCK SHARP & DOHME CORP. (US) 2012-04-17 US disclosed
US-8158825-B2 Modified malonate derivatives MERCK SHARP & DOHME CORP. (US) 2012-04-17 US disclosed
US-8158825-B2 Modified malonate derivatives MERCK SHARP & DOHME CORP. (US) 2012-04-17 US disclosed
US-20100160327-A1 Modified Malonate Derivatives MERCK SHARP & DOHME LLC 2010-06-24 US disclosed
US-20100160327-A1 Modified Malonate Derivatives MERCK SHARP & DOHME LLC 2010-06-24 US disclosed
US-20100160327-A1 Modified Malonate Derivatives MERCK SHARP & DOHME LLC 2010-06-24 US disclosed
EP-1896395-A2 MODIFIED MALONATE DERIVATIVES Merck & Co., Inc. (US) 2008-03-12 EP disclosed
WO-2007002248-A2 MODIFIED MALONATE DERIVATIVES MERCK & CO., INC. (US) 2007-01-04 WO disclosed
WO-2007002248-A2 MODIFIED MALONATE DERIVATIVES MERCK & CO., INC. (US) 2007-01-04 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-20100160327-A1 Modified Malonate Derivatives ME2, ME3, ME1 CSNK2A2 2313/4885CSNK2B 2576/4885CSNK2A1 2100/4885

“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.