SCHEMBL3062102

SCHEMBL3062102

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
IKBKB O14920 1/20 0.52
JAK2 O60674 1/20 0.52
SCN9A Q15858 7/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALPL P05186 1/20 0.48
HTT P42858 2/20 0.47
HIF1A Q16665 1/20 0.47
GAA P10253 1/20 0.47
ALOX12 P18054 1/20 0.47
TP53 P04637 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
SCHEMBL3072040 0.89 LMNA (0.54) ALDH1A1LMNASMN1; SMN2IKBKBJAK2
SCHEMBL3065940 0.89 SCN9A (0.52) ALDH1A1LMNAIKBKBJAK2SCN9A
SCHEMBL3070368 0.87 MEN1 (0.56) ALDH1A1IKBKBJAK2SCN9AMAPT
SCHEMBL3060882 0.87 IKBKB (0.50) ALDH1A1LMNASMN1; SMN2IKBKBJAK2
SCHEMBL3072126 0.86 GAA (0.65) ALDH1A1LMNASMN1; SMN2IKBKBJAK2
SCHEMBL3068871 0.86 SCN9A (0.51) ALDH1A1LMNASMN1; SMN2IKBKBJAK2
SCHEMBL3060711 0.85 IKBKB (0.53) ALDH1A1LMNASMN1; SMN2IKBKBJAK2
SCHEMBL3050929 0.84 IKBKB (0.47) IKBKBJAK2SCN9AMEN1KMT2A
SCHEMBL3072044 0.84 SCN9A (0.50) ALDH1A1LMNAIKBKBJAK2SCN9A
SCHEMBL3061244 0.82 SCN9A (0.54) IKBKBJAK2SCN9A

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 ALDH1A1 1256/4885LMNA 3673/4885SMN1; SMN2 2639/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 ALDH1A1 1256/4885LMNA 3673/4885SMN1; SMN2 2639/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 ALDH1A1 1266/4885LMNA 3427/4885SMN1; SMN2 2404/4885
US-20030144507-A1 Sulfonamide-containing heterocyclic compounds SLC5A2, SLC5A1, CBR3 ALDH1A1 1018/4885LMNA 3807/4885SMN1; SMN2 1987/4885

“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.