SCHEMBL3928644

SCHEMBL3928644

NC(=O)C(=O)NS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.62
CA2 P00918 5/20 0.62
EGFR P00533 6/20 0.56
ERBB2 P04626 6/20 0.56
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP13 P45452 1/20 0.55
F2 P00734 1/20 0.54
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
PTGS2 P35354 4/20 0.53
PTGS1 P23219 3/20 0.53
POLB P06746 1/20 0.53
CA9 Q16790 2/20 0.50
TP53 P04637 1/20 0.50
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL12187037 0.85 CA1 (0.66) CA1CA2EGFRERBB2MMP1
SCHEMBL29135554 0.81 LMNA (0.58) CA1CA2MMP1MMP2MMP9
SCHEMBL8853950 0.81 CA1 (0.59) CA1CA2EGFRERBB2MMP1
SCHEMBL3928655 0.81 CA2 (0.52) CA1CA2EGFRERBB2MMP1
SCHEMBL6169304 0.79 CA1 (0.65) CA1CA2EGFRERBB2MMP1
SCHEMBL3931514 0.77 MMP2 (0.59) CA1CA2EGFRERBB2MMP1
SCHEMBL7714429 0.77 POLB (0.81) CA1CA2EGFRERBB2MMP1
SCHEMBL3928646 0.76 EGFR (0.68) CA1CA2EGFRERBB2MMP1
SCHEMBL13329865 0.74 CA1 (0.59) CA1CA2EGFRERBB2MMP1
SCHEMBL19627392 0.73 CA1 (0.57) CA1CA2EGFRERBB2MMP1

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 6 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

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 CA1 124/4885CA2 794/4885EGFR 1416/4885

“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.