SCHEMBL3211498

SCHEMBL3211498

Cc1cc(S(=O)(=O)Nc2cccc(-c3ccc(C(=O)O)cc3)c2C)c(C)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.53
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HTT P42858 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
GAA P10253 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KDM4E B2RXH2 3/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
HPGD P15428 2/20 0.48
HSD17B10 Q99714 1/20 0.48
NPY2R P49146 2/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL3207018 0.89 MAPT (0.49) NPSR1ALDH1A1MEN1KMT2AHTT
SCHEMBL3208292 0.87 MEN1 (0.49) NPSR1ALDH1A1MEN1KMT2AHTT
SCHEMBL3208369 0.85 S1PR1 (0.51) NPSR1ALDH1A1MEN1KMT2AHTT
SCHEMBL3208383 0.85 S1PR1 (0.51) NPSR1ALDH1A1MEN1KMT2AHTT
SCHEMBL3196679 0.80 HSD17B2 (0.63) MAPTLMNAHSD17B1HSD17B2TP53
SCHEMBL29788225 0.77 NR3C1 (0.56) NPSR1ALDH1A1MEN1KMT2AHTT
SCHEMBL2034374 0.77 NR3C1 (0.56) NPSR1ALDH1A1MEN1KMT2AHTT
SCHEMBL14259853 0.77 FFAR2 (0.38) NPSR1ALDH1A1MEN1KMT2AHTT
SCHEMBL27755101 0.76 ACLY (0.58) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL27424450 0.76 HSD17B2 (0.70) ALDH1A1MEN1KMT2AMAPTLMNA

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 5 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

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 NPSR1 301/4885ALDH1A1 1114/4885MEN1 2405/4885

“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.