SCHEMBL18940883

SCHEMBL18940883

CCCS(=O)(=O)c1cccnc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 2/20 0.43
HTT P42858 1/20 0.43
COMT P21964 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ADRA2C P18825 2/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
BRAF P15056 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
BRD4 O60885 1/20 0.37
P2RX7 Q99572 1/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 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
SCHEMBL18940891 0.91 KDM4E (0.43) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL18940878 0.89 COMT (0.49) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL18784208 0.86 TSHR (0.47) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL18784122 0.84 TSHR (0.42) KDM4EALDH1A1HSD17B10HPGDTSHR
Lithium Ion SCHEMBL18784188 0.84 TSHR (0.42) KDM4EALDH1A1HSD17B10HPGDTSHR
Potassium Ion SCHEMBL18784182 0.84 TSHR (0.42) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL3914430 0.79 MKNK1 (0.41) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL18784169 0.78 TSHR (0.45) KDM4EALDH1A1TSHRHTTCOMT
SCHEMBL27804166 0.77 COMT (0.44) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL8165111 0.77 CA1 (0.51) KDM4EALDH1A1HPGDTSHRHTT

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-9850209-B2 Method for manufacturing 3-(alkylsulfonyl)pyridine-2-carboxylic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-12-26 US disclosed
US-20170166529-A1 METHOD FOR MANUFACTURING 3-(ALKYLSULFONYL)PYRIDINE-2-CARBOXYLIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-15 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-20170166529-A1 METHOD FOR MANUFACTURING 3-(ALKYLSULFONYL)PYRIDINE-2-CARBOXYLIC ACID HAO2, AOC2, H1-2 KDM4E 2126/4885ALDH1A1 337/4885HSD17B10 1687/4885

“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.