SCHEMBL3071874

SCHEMBL3071874

O=S(=O)(Nc1ccc2c(Br)cccc2n1)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 5/20 0.47
GLO1 Q04760 1/20 0.47
KMT2A Q03164 2/20 0.43
CA2 P00918 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CKS1B P61024 2/20 0.41
SKP2 Q13309 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
MEN1 O00255 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
BRD4 O60885 1/20 0.39
BACE1 P56817 1/20 0.39
MAP2K7 O14733 1/20 0.39
MAP2K4 P45985 1/20 0.39

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
SCHEMBL3061239 0.82 KDM4E (0.46) SLC40A1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3061305 0.82 SLC40A1 (0.44) SLC40A1GLO1KMT2ACA2SMN1; SMN2
SCHEMBL7089130 0.81 SLC40A1 (0.57) SLC40A1GLO1KMT2ACA2SMN1; SMN2
SCHEMBL7089011 0.80 SLC40A1 (0.48) SLC40A1GLO1KMT2ACKS1BSKP2
SCHEMBL3070372 0.79 KDM4E (0.48) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3066096 0.77 KDM4E (0.67) KDM4E
SCHEMBL27680502 0.72 POLB (0.46) SLC40A1GLO1KMT2AKDM4EALDH1A1
SCHEMBL18423255 0.72 KMT2A (0.60) SLC40A1GLO1KMT2ACA2SMN1; SMN2
SCHEMBL3072255 0.70 SLC40A1 (0.59) SLC40A1GLO1KMT2ACA2SMN1; SMN2
SCHEMBL6292016 0.69 SLC40A1 (0.55) SLC40A1GLO1KMT2ACA2SMN1; SMN2

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 10 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
CN-100356979-C Integrin expression inhibitors EISAI CO LTD (JP) 2007-12-26 CN 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
CN-1396833-A Integrin expression inhibitors EISAI CO LTD (JP) 2003-02-12 CN 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 (3 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 SLC40A1 3795/4885GLO1 4552/4885KMT2A 2009/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 SLC40A1 3795/4885GLO1 4552/4885KMT2A 2009/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 SLC40A1 3835/4885GLO1 4392/4885KMT2A 2523/4885

“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.