SCHEMBL3070341

SCHEMBL3070341

O=S(=O)(Nc1cnc2c(Br)cccc2c1)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
ALPL P05186 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 1/20 0.46
ALOX12 P18054 1/20 0.46
MMP2 P08253 1/20 0.45
SLC40A1 Q9NP59 2/20 0.45
PIK3CA P42336 1/20 0.45
TSHR P16473 1/20 0.44

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 0.89 SLC40A1 (0.55) GLO1KDM4EALDH1A1ALPLKMT2A
SCHEMBL3071425 0.85 KMT2A (0.51) KDM4EALDH1A1ALPLKMT2AMEN1
SCHEMBL3066006 0.85 GLO1 (0.54) GLO1KDM4EALDH1A1ALPLKMT2A
SCHEMBL3064412 0.84 PIK3CG (0.46) KDM4EALDH1A1ALPLKMT2AMEN1
SCHEMBL3070535 0.84 ALDH1A1 (0.48) KDM4EALDH1A1ALPLKMT2AMEN1
SCHEMBL3061828 0.82 ALPL (0.62) KDM4EALDH1A1ALPLKMT2AMEN1
SCHEMBL3061991 0.82 KMT2A (0.48) KDM4EALDH1A1ALPLKMT2AMEN1
SCHEMBL3072255 0.82 SLC40A1 (0.59) GLO1KDM4EALDH1A1ALPLKMT2A
SCHEMBL3060823 0.81 ALDH1A1 (0.46) KDM4EALDH1A1ALPLKMT2AMEN1
SCHEMBL3061433 0.81 KMT2A (0.47) KDM4EALDH1A1ALPLKMT2AMEN1

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 13 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
CN-1217936-C Heterocyclic compounds having sulfonic acid EISAI CO LTD (JP) 2005-09-07 CN 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
CN-1414952-A Heterocyclic compounds having sulfonic acid EISAI CO LTD (JP) 2003-04-30 CN 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 (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 GLO1 4552/4885KDM4E 2229/4885ALDH1A1 1256/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 GLO1 4552/4885KDM4E 2229/4885ALDH1A1 1256/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 GLO1 4392/4885KDM4E 2279/4885ALDH1A1 1266/4885
US-20030144507-A1 Sulfonamide-containing heterocyclic compounds SLC5A2, SLC5A1, CBR3 GLO1 652/4885KDM4E 1771/4885ALDH1A1 1018/4885

“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.