SCHEMBL4804664

SCHEMBL4804664

CC(=O)c1c(-c2ccc(Cl)cc2Cl)nc(S(C)(=O)=O)nc1S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.44
GABRA1 P14867 2/20 0.44
ADRA2C P18825 2/20 0.44
SLC6A3 Q01959 2/20 0.44
ADRB3 P13945 1/20 0.44
ADRA2B P18089 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
OPRD1 P41143 1/20 0.44
CNR2 P34972 10/20 0.43
EGFR P00533 1/20 0.39
ALOX5 P09917 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
MAPK3 P27361 1/20 0.39
OPRL1 P41146 1/20 0.39
SLC18A2 Q05940 1/20 0.39
MAPK14 Q16539 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL4808908 0.84 CNR1 (0.42) CNR1GABRA1ADRA2CSLC6A3ADRB3
SCHEMBL4809317 0.82 ABCB11 (0.38) CNR1GABRA1ADRA2CSLC6A3ADRB3
SCHEMBL4802843 0.79 PTGS2 (0.41) CNR1GABRA1ADRA2CSLC6A3ADRB3
SCHEMBL14107166 0.76 CRHR1 (0.40) CNR1KDM4EHPGDNPSR1PTGS2
SCHEMBL14107168 0.76 ABCB11 (0.39) CNR1GABRA1ADRA2CSLC6A3ADRB3
SCHEMBL14107173 0.73 ABCB11 (0.41) CNR1GABRA1ADRA2CSLC6A3ADRB3
SCHEMBL4801796 0.72 CRHR1 (0.42) CNR1CNR2KDM4EHPGDNPSR1
SCHEMBL4809390 0.72 CNR1 (0.43) CNR1GABRA1ADRA2CSLC6A3ADRB3
SCHEMBL6220989 0.72 BAZ2B (0.44) CNR1CNR2SLC2A2
SCHEMBL4810834 0.72 PTGS2 (0.42) CNR1GABRA1ADRA2CSLC6A3ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7405221-B2 Substituted pyrimidines MERCK & CO., INC. (US) 2008-07-29 US disclosed
US-20050245554-A1 Substituted pyrimidines MERCK SHARP & DOHME CORP. 2005-11-03 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-20050245554-A1 Substituted pyrimidines CNR1, CNR2, GPR119 CNR1 1/4885GABRA1 83/4885ADRA2C 356/4885

“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.