SCHEMBL3198045

SCHEMBL3198045

Cc1cc(S(=O)(=O)Nc2ccc(C)c(-c3ccc(C(=O)N[C@@H](CO)C(=O)O)cc3)c2)c(C)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.55
CA2 P00918 3/20 0.47
CA1 P00915 2/20 0.47
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
S1PR4 O95977 1/20 0.45
S1PR3 Q99500 1/20 0.45
S1PR5 Q9H228 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ACLY P53396 1/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
GPR27 Q9NS67 1/20 0.40

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
SCHEMBL3198059 1.00 S1PR1 (0.55) S1PR1CA2CA1HSD17B1HSD17B2
SCHEMBL13485191 0.89 S1PR1 (0.67) S1PR1CA2CA1HSD17B1HSD17B2
SCHEMBL3194705 0.89 S1PR1 (0.67) S1PR1CA2CA1HSD17B1HSD17B2
SCHEMBL3194716 0.89 S1PR1 (0.67) S1PR1CA2CA1HSD17B1HSD17B2
SCHEMBL3186280 0.85 HSD17B1 (0.47) S1PR1CA2CA1HSD17B1HSD17B2
SCHEMBL3196769 0.84 S1PR1 (0.53) S1PR1CA2CA1HSD17B1HSD17B2
SCHEMBL3195723 0.84 S1PR1 (0.61) S1PR1CA2CA1HSD17B1HSD17B2
SCHEMBL3196750 0.84 S1PR1 (0.53) S1PR1CA2CA1HSD17B1HSD17B2
SCHEMBL3195706 0.84 S1PR1 (0.61) S1PR1CA2CA1HSD17B1HSD17B2
SCHEMBL3186883 0.84 S1PR1 (0.68) S1PR1CA2CA1HSD17B1HSD17B2

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-20100029609-A1 BIARYL SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029609-A1 BIARYL SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029609-A1 BIARYL SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2010-02-04 US disclosed
EP-2081888-A1 N-BIARYL (HETERO) ARYLSULPHONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY LYMPHOCYTES INTERACTIONS Novartis AG (CH) 2009-07-29 EP disclosed
WO-2008028937-A1 N-BIARYL (HETERO) ARYLSULPHONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY LYMPHOCYTES INTERACTIONS NOVARTIS AG (CH) 2008-03-13 WO disclosed
WO-2008028937-A1 N-BIARYL (HETERO) ARYLSULPHONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY LYMPHOCYTES INTERACTIONS NOVARTIS AG (CH) 2008-03-13 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-20100029609-A1 BIARYL SULFONAMIDE DERIVATIVES UGT2B7, CYP3A7, STS S1PR1 243/4885CA2 1009/4885CA1 1938/4885

“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.