SCHEMBL4584838

SCHEMBL4584838

C[C](C(N)=O)C(=O)NS(=O)(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 1/20 0.50
LARS1 Q9P2J5 1/20 0.48
CA2 P00918 3/20 0.47
PTGS2 P35354 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
PTGS1 P23219 2/20 0.46
DHFR P00374 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA1 P00915 2/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL3928655 0.85 CA2 (0.52) BCAT1LARS1CA2PTGS2KDM4E
SCHEMBL2746048 0.83 BCAT1 (0.65) BCAT1CA2GAASMN1; SMN2TDP1
SCHEMBL10931933 0.81 CA2 (0.60) BCAT1CA2PTGS2KDM4EGAA
SCHEMBL5692931 0.79 BCAT1 (0.46) BCAT1LARS1CA2PTGS2KDM4E
SCHEMBL5692927 0.79 BCAT1 (0.46) BCAT1LARS1CA2PTGS2KDM4E
SCHEMBL193976 0.79 BCAT1 (0.53) BCAT1LARS1CA2PTGS2KDM4E
SCHEMBL370189 0.77 CA2 (0.56) BCAT1LARS1CA2PTGS2KDM4E
SCHEMBL27583034 0.77 CA2 (0.56) BCAT1CA2PTGS2KDM4EGAA
SCHEMBL209632 0.77 DHFR (0.66) BCAT1CA2PTGS2KDM4EPTGS1
Acetic Acid SCHEMBL27681643 0.77 BCAT1 (0.51) BCAT1LARS1CA2PTGS2KDM4E

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-8283479-B2 CXCR2 inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-09 US disclosed
US-20080090854-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-17 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-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 BCAT1 2246/4885LARS1 4732/4885CA2 1001/4885

“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.