SCHEMBL3928646

SCHEMBL3928646

NCC(=O)NS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.68
ERBB2 P04626 9/20 0.68
CA1 P00915 6/20 0.68
CA2 P00918 6/20 0.68
MMP1 P03956 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP13 P45452 1/20 0.53
PTGS2 P35354 3/20 0.51
PTGS1 P23219 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.51
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL4464537 0.84 CA1 (0.70) EGFRERBB2CA1CA2MMP1
SCHEMBL8057076 0.82 EGFR (0.68) EGFRERBB2CA1CA2MMP1
SCHEMBL13537908 0.82 CA1 (0.68) EGFRERBB2CA1CA2MMP1
SCHEMBL6850444 0.82 EGFR (0.68) EGFRERBB2CA1CA2MMP1
SCHEMBL3928657 0.81 CA1 (0.67) EGFRERBB2CA1CA2MMP1
SCHEMBL6849915 0.81 CA1 (0.58) EGFRERBB2CA1CA2
SCHEMBL6848795 0.80 CA1 (0.53) EGFRERBB2CA1CA2
SCHEMBL12187037 0.79 CA1 (0.66) EGFRERBB2CA1CA2MMP1
SCHEMBL6848813 0.79 CA1 (0.64) CA1CA2MMP1MMP2MMP9
SCHEMBL6850082 0.79 CA1 (0.64) CA1CA2MMP1MMP2MMP9

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 EGFR 1416/4885ERBB2 2727/4885CA1 124/4885

“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.