SCHEMBL5408029

SCHEMBL5408029

CC#CCOc1cc(S(C)(=O)=O)ncn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 17/20 0.38
MMP13 P45452 10/20 0.37
MMP9 P14780 7/20 0.37
MMP2 P08253 5/20 0.37
MMP8 P22894 4/20 0.37
MMP7 P09237 2/20 0.35
MMP1 P03956 6/20 0.32
MMP14 P50281 1/20 0.32
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL5410704 0.81 CHRM3 (0.37) ADAM17MMP13MMP9MMP2MMP8
SCHEMBL14388010 0.78 ACACB (0.33)
SCHEMBL83513 0.77 ADAM17 (0.33) ADAM17MMP13MMP9MMP2MMP8
SCHEMBL5402113 0.73 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM3
SCHEMBL395587 0.73 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM3
SCHEMBL5407812 0.73 POLB (0.36) CHRM2CHRM4CHRM5CHRM3
SCHEMBL5415327 0.71 CHRM2 (0.31) CHRM2CHRM4CHRM5CHRM3
SCHEMBL5394920 0.71 NUDT1 (0.38) CHRM2CHRM4CHRM5CHRM3
SCHEMBL5398630 0.71 GABRP (0.35) ADAM17CHRM2CHRM4CHRM5CHRM3
SCHEMBL5413002 0.71 ALDH1A1 (0.33) CHRM2CHRM4CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291730-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 US disclosed
US-7291730-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 US disclosed
US-20050107609-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY 2005-05-19 US disclosed
US-6838463-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-04 US disclosed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP disclosed
US-20040077669-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-04-22 US disclosed
EP-1366026-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2003-12-03 EP disclosed
WO-2002024663-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-28 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 (2 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-20050107609-A1 Pyrimidine compounds and their use TYMP, TYMS, UMPS ADAM17 3790/4885MMP13 4556/4885MMP9 4234/4885
US-20040077669-A1 Pyrimidine compounds and their use TYMP, TYMS, DPYD ADAM17 4348/4885MMP13 4715/4885MMP9 4281/4885

“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.