SCHEMBL3928422

SCHEMBL3928422

NCC(=O)NS(=O)(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.42
CA1 P00915 9/20 0.42
MMP2 P08253 3/20 0.33
MMP9 P14780 3/20 0.33
MMP12 P39900 2/20 0.33
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MMP1 P03956 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
EPHX1 P07099 1/20 0.31

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
SCHEMBL27552476 0.79 CA1 (0.44) CA2CA1MMP2MMP9MMP12
SCHEMBL26163088 0.77 CA1 (0.42) CA2CA1MMP2MMP9MMP12
SCHEMBL10076880 0.77 CA1 (0.42) CA2CA1MMP2MMP9MMP12
SCHEMBL22503265 0.77 CA1 (0.42) CA2CA1MMP2MMP9MMP12
SCHEMBL22503294 0.77 CA1 (0.42) CA2CA1MMP2MMP9MMP12
SCHEMBL8341773 0.76 CA1 (0.41) CA2CA1MMP2MMP9MMP12
SCHEMBL22503267 0.76 CA1 (0.41) CA2CA1MMP2MMP9MMP12
SCHEMBL7240710 0.74 HDAC3 (0.43) CA2CA1MMP2MMP9MMP12
SCHEMBL22503212 0.74 PHF8 (0.43) CA2CA1CA7CA13
SCHEMBL18969615 0.74 CA1 (0.44) CA2CA1MMP2MMP9MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258847-A1 Cholanic Acid Amides NOVARTIS AG (CH) 2009-10-15 US claimed
EP-2044100-A2 SULPHONYLAMINOCARBONYL DERIVATIVES OF BILE ACID AMIDES FOR USE AS IMMUNOMODULATORS Novartis AG (CH) 2009-04-08 EP claimed
WO-2008009407-A2 SULPHONYLAMINOCARBONYL DERIVATIVES OF BILE ACID AMIDES FOR USE AS IMMUNOMODULATORS NOVARTIS AG (CH) 2008-01-24 WO claimed
US-20090258847-A1 Cholanic Acid Amides NOVARTIS AG (CH) 2009-10-15 US disclosed
EP-2044100-A2 SULPHONYLAMINOCARBONYL DERIVATIVES OF BILE ACID AMIDES FOR USE AS IMMUNOMODULATORS Novartis AG (CH) 2009-04-08 EP disclosed
WO-2008009407-A2 SULPHONYLAMINOCARBONYL DERIVATIVES OF BILE ACID AMIDES FOR USE AS IMMUNOMODULATORS NOVARTIS AG (CH) 2008-01-24 WO disclosed
US-6774212-B2 FOR THERAPY OF VIRAL INFECTION OR AS AN ASSAY STANDARD OR REAGENT BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-10 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-20090258847-A1 Cholanic Acid Amides NR1H4, SLC10A1, CYP46A1 CA2 794/4885CA1 124/4885MMP2 1340/4885

“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.