SCHEMBL3072040

SCHEMBL3072040

COc1nccc2cc(NS(=O)(=O)c3ccc(NS(C)(=O)=O)cc3)ccc12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.54
MAPK1 P28482 3/20 0.54
GAA P10253 2/20 0.54
IKBKB O14920 1/20 0.52
JAK2 O60674 1/20 0.52
SCN9A Q15858 10/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PLAU P00749 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL3062102 0.89 ALDH1A1 (0.56) LMNAGAAIKBKBJAK2SCN9A
SCHEMBL3065940 0.88 SCN9A (0.52) LMNAGAAIKBKBJAK2SCN9A
SCHEMBL3060882 0.86 IKBKB (0.50) LMNAGAAIKBKBJAK2SCN9A
SCHEMBL3072126 0.85 GAA (0.65) LMNAMAPK1GAAIKBKBJAK2
SCHEMBL3068871 0.85 SCN9A (0.51) LMNAGAAIKBKBJAK2SCN9A
SCHEMBL3060711 0.84 IKBKB (0.53) LMNAMAPK1GAAIKBKBJAK2
SCHEMBL3050929 0.83 IKBKB (0.47) IKBKBJAK2SCN9AMEN1KMT2A
SCHEMBL3072044 0.83 SCN9A (0.50) LMNAMAPK1IKBKBJAK2SCN9A
SCHEMBL3061244 0.82 SCN9A (0.54) IKBKBJAK2SCN9APKM
SCHEMBL3070368 0.81 MEN1 (0.56) IKBKBJAK2SCN9AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834049-B2 Sulfonamide compound for treating arteriosclerosis, psoriasis, colon cancer, retinal angiogenesis, diabetic retinopathy or inflammatory diseases EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-16 US disclosed
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR WAKABAYASHI TOSHIAKI 2010-10-21 US disclosed
EP-1243583-B1 HETEROCYCLIC COMPOUNDS HAVING SULFONAMIDE GROUPS EISAI CO LTD (JP) 2005-09-28 EP disclosed
US-20050176712-A1 Integrin expression inhibitor EISAI CO., LTD. 2005-08-11 US disclosed
US-6787534-B2 SUBSTITUTED QUINOLINE AND ISOQUINOLINE ANTIANGIOGENIC AGENTS; SULFONYLUREAS EISAI CO., LTD. (JP) 2004-09-07 US disclosed
US-20040018192-A1 Integrin expression inhibitors EISAI CO., LTD. (JP) 2004-01-29 US disclosed
US-20030144507-A1 Sulfonamide-containing heterocyclic compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-07-31 US disclosed
EP-1258252-A1 INTEGRIN EXPRESSION INHIBITORS Eisai Co., Ltd. (JP) 2002-11-20 EP disclosed
EP-1243583-A1 HETEROCYCLIC COMPOUNDS HAVING SULFONAMIDE GROUPS Eisai Co., Ltd. (JP) 2002-09-25 EP 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 (4 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-20050176712-A1 Integrin expression inhibitor ITGB5, ITGB1, ITGB2 LMNA 3673/4885MAPK1 1445/4885GAA 4822/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 LMNA 3673/4885MAPK1 1445/4885GAA 4822/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 LMNA 3427/4885MAPK1 1142/4885GAA 4676/4885
US-20030144507-A1 Sulfonamide-containing heterocyclic compounds SLC5A2, SLC5A1, CBR3 LMNA 3807/4885MAPK1 1836/4885GAA 2149/4885

“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.