SCHEMBL4869319

SCHEMBL4869319

Cc1ccc(S(=O)(=O)NC(CC(=O)O)CN(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
ITGB3 P05106 2/20 0.47
ITGA2B P08514 1/20 0.47
CA2 P00918 7/20 0.47
CA7 P43166 4/20 0.47
CA9 Q16790 6/20 0.47
CA1 P00915 4/20 0.47
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
CA4 P22748 2/20 0.47
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
MMP13 P45452 1/20 0.47
CA12 O43570 3/20 0.46
CA14 Q9ULX7 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
ADAMTS4 O75173 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
SCHEMBL4869315 1.00 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL4343926 0.83 CA9 (0.51) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL4343932 0.83 CA9 (0.51) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL6422714 0.82 SLC1A3 (0.52) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL6422709 0.82 SLC1A3 (0.52) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL3688535 0.81 NPSR1 (0.47) CA2CA9CA1CA12ALDH1A1
Iodide SCHEMBL6421257 0.81 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1ITGB3ITGA2B
SCHEMBL3677888 0.80 S1PR2 (0.48) CA2CA9CA1CA12ALDH1A1
SCHEMBL17537270 0.77 PSMB8 (0.57)
SCHEMBL12631978 0.77 CA2 (0.41) CA2CA7CA9CA1MMP2

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-20080161395-A1 Derivatives of Aminobutanoic Acid Inhibiting Cpt SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-07-03 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-20080161395-A1 Derivatives of Aminobutanoic Acid Inhibiting Cpt CPT1B, CPT1A, CPT2 SLC1A3 116/4885SLC1A2 194/4885SLC1A1 99/4885

“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.