SCHEMBL3060711

SCHEMBL3060711

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.53
JAK2 O60674 1/20 0.53
POLB P06746 2/20 0.51
GAA P10253 1/20 0.47
HTT P42858 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CHEK2 O96017 1/20 0.46
BRD4 O60885 1/20 0.45
SCN9A Q15858 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C9 P11712 1/20 0.43
ATIC P31939 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL3072126 0.86 GAA (0.65) IKBKBJAK2POLBGAAHTT
SCHEMBL3062102 0.85 ALDH1A1 (0.56) IKBKBJAK2GAAHTTALDH1A1
SCHEMBL3072040 0.84 LMNA (0.54) IKBKBJAK2GAAHTTALDH1A1
SCHEMBL3065940 0.84 SCN9A (0.52) IKBKBJAK2POLBGAAALDH1A1
SCHEMBL3060882 0.82 IKBKB (0.50) IKBKBJAK2GAAALDH1A1SCN9A
SCHEMBL3050929 0.81 IKBKB (0.47) IKBKBJAK2SCN9AMEN1KMT2A
SCHEMBL3068871 0.81 SCN9A (0.51) IKBKBJAK2GAAHTTALDH1A1
SCHEMBL17142202 0.80 CSNK2A1 (0.47) MAPK1
SCHEMBL31187507 0.80 CSNK2A1 (0.47) MAPK1
SCHEMBL3072044 0.79 SCN9A (0.50) IKBKBJAK2ALDH1A1SCN9ALMNA

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-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
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 (2 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 IKBKB 474/4885JAK2 580/4885POLB 2816/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 IKBKB 474/4885JAK2 580/4885POLB 2816/4885

“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.