SCHEMBL16478583

SCHEMBL16478583

CCC(NS(C)(=O)=O)C(C)=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
CA2 P00918 2/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP8 P22894 1/20 0.30
CA9 Q16790 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
SCHEMBL12069014 0.84 SCN9A (0.34) USP2TSHRCA2ITGB3ITGA2B
SCHEMBL1724563 0.84 SCN9A (0.34) USP2TSHRCA2ITGB3ITGA2B
SCHEMBL12071190 0.84 SCN9A (0.34) USP2TSHRCA2ITGB3ITGA2B
SCHEMBL24108521 0.82 ITGB3 (0.39) USP2TSHRITGB3ITGA2BMMP2
SCHEMBL10076157 0.82 ITGB3 (0.39) USP2TSHRITGB3ITGA2BMMP2
SCHEMBL12863143 0.82 TGFBR1 (0.39) CA2ITGB3ITGA2B
SCHEMBL10076122 0.78 CA14 (0.42) CA2ITGB3ITGA2BCA12CA1
SCHEMBL18212160 0.78 ALDH1A1 (0.44) CA2CA1MMP1MMP2MMP8
SCHEMBL14640705 0.78 ALDH1A1 (0.44) CA2CA1MMP1MMP2MMP8
SCHEMBL15374283 0.78 ALDH1A1 (0.44) CA2CA1MMP1MMP2MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140011799-A1 SULFONYL CONTAINING BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY 2014-01-09 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-20140011799-A1 SULFONYL CONTAINING BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, LIPE USP2 801/4885TSHR 3677/4885CA2 2847/4885

“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.