SCHEMBL3060922

SCHEMBL3060922

O=S(=O)(Nc1ccc(O)c2c(Cl)c[nH]c12)c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.50
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 2/20 0.49
CRBN Q96SW2 2/20 0.49
CA12 O43570 2/20 0.49
CA3 P07451 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
ERBB2 P04626 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
PGR P06401 5/20 0.46
ACLY P53396 1/20 0.44
SLC40A1 Q9NP59 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 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
SCHEMBL5246731 0.83 ALDH1A1 (0.50) CA1CA2CA9CRBNCA12
SCHEMBL3067241 0.80 CA1 (0.70) CA1CA2CA9CRBNCA12
SCHEMBL3065675 0.78 EDNRB (0.43) CA1CA2CA9CRBNCA12
SCHEMBL24762150 0.77 S100A9 (0.51) CA1CA2CA9CRBNCA12
SCHEMBL24761991 0.77 WDR5 (0.51) WDR5CA1CA2CA9CRBN
SCHEMBL29764473 0.77 WDR5 (0.51) WDR5CA1CA2CA9CRBN
SCHEMBL24762145 0.75 CA1 (0.44) CA1CA2CA9CRBNCA12
SCHEMBL24762564 0.75 KDM4E (0.53) CA1CA2CA9CRBNCA12
SCHEMBL24762053 0.74 CRBN (0.68) CA1CA2CA9CRBNCA12
SCHEMBL3051463 0.74 CA12 (0.52) CA1CA2CA9CRBNCA12

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
EP-1433479-B1 APPETITE-STIMULATING AGENTS AND REMEDIES FOR ANOREXIA EISAI R&D MAN CO LTD (JP) 2007-12-05 EP disclosed
US-7015241-B2 Appetite-stimulating agents and remedies for anorexia EISAI CO., LTD. (JP) 2006-03-21 US disclosed
US-20050176712-A1 Integrin expression inhibitor EISAI CO., LTD. 2005-08-11 US disclosed
US-20040242628-A1 Appetite-stimulating agents and remedies for anorexia EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-12-02 US disclosed
US-20040235866-A1 Lymphocytic activation inhibitor and remedial agent for autoimmune disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-11-25 US disclosed
EP-1433479-A1 APPETITE-STIMULATING AGENTS AND REMEDIES FOR ANOREXIA Eisai Co., Ltd (JP) 2004-06-30 EP disclosed
EP-1430894-A1 LYMPHOCYTIC ACTIVATION INHIBITOR AND REMEDIAL AGENT FOR AUTOIMMUNE DISEASE Eisai Co. Ltd (JP) 2004-06-23 EP disclosed
US-20040018192-A1 Integrin expression inhibitors EISAI CO., LTD. (JP) 2004-01-29 US disclosed
EP-0673937-B1 BICYCLIC HETEROCYCLIC SULFONAMIDE AND SULFONIC ESTER DERIVATIVES EISAI CO LTD (JP) 2003-11-26 EP disclosed
EP-1258252-A1 INTEGRIN EXPRESSION INHIBITORS Eisai Co., Ltd. (JP) 2002-11-20 EP disclosed
EP-0673937-A1 BICYCLIC HETEROCYCLIC SULFONAMIDE AND SULFONIC ESTER DERIVATIVES Eisai Co., Ltd. (JP) 1995-09-27 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 (5 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 WDR5 2801/4885CA1 867/4885CA2 821/4885
US-20040235866-A1 Lymphocytic activation inhibitor and remedial agent for autoimmune disease NFATC1, CHUK, CD4 WDR5 2203/4885CA1 44/4885CA2 49/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 WDR5 2801/4885CA1 867/4885CA2 821/4885
US-20040242628-A1 Appetite-stimulating agents and remedies for anorexia GHSR, CCKAR, SUCNR1 WDR5 2664/4885CA1 219/4885CA2 208/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 WDR5 3223/4885CA1 827/4885CA2 631/4885

“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.