SCHEMBL3056005

SCHEMBL3056005

COc1cccc(S(=O)(=O)Nc2cnc3c(Br)cccc3c2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.71
GAA P10253 1/20 0.57
GLO1 Q04760 1/20 0.57
SLC40A1 Q9NP59 1/20 0.57
PGR P06401 2/20 0.53
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
PLAU P00749 2/20 0.51
LMNA P02545 4/20 0.50
ALDH1A1 P00352 3/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
FFAR4 Q5NUL3 1/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
PTPN2 P17706 2/20 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
SCHEMBL3071884 0.84 SLC40A1 (0.55) ALPLGLO1SLC40A1LMNAALDH1A1
SCHEMBL3061991 0.82 KMT2A (0.48) ALPLSLC40A1LMNAALDH1A1HTT
SCHEMBL3072255 0.80 SLC40A1 (0.59) ALPLGAAGLO1SLC40A1LMNA
SCHEMBL3070341 0.79 GLO1 (0.52) ALPLGAAGLO1SLC40A1ALDH1A1
SCHEMBL3071425 0.78 KMT2A (0.51) ALPLSLC40A1LMNAALDH1A1ALOX15
SCHEMBL3061828 0.77 ALPL (0.62) ALPLSLC40A1LMNAALDH1A1MAPK1
SCHEMBL3064412 0.76 PIK3CG (0.46) ALPLSLC40A1PLAULMNAALDH1A1
SCHEMBL3070535 0.76 ALDH1A1 (0.48) ALPLGAALMNAALDH1A1MAPK1
SCHEMBL3061433 0.76 KMT2A (0.47) ALPLSLC40A1LMNAALDH1A1HTT
SCHEMBL3055969 0.76 ALPL (0.46) ALPLSLC40A1LMNAALDH1A1HTT

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 ALPL 4665/4885GAA 4822/4885GLO1 4552/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 ALPL 4665/4885GAA 4822/4885GLO1 4552/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 ALPL 4722/4885GAA 4676/4885GLO1 4392/4885
US-20030144507-A1 Sulfonamide-containing heterocyclic compounds SLC5A2, SLC5A1, CBR3 ALPL 4815/4885GAA 2149/4885GLO1 652/4885

“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.