SCHEMBL3050844

SCHEMBL3050844

CCOC(=O)Nc1cccc(CC(C)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 2/20 0.47
MTNR1B P49286 1/20 0.45
PARP1 P09874 1/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.44
F2R P25116 1/20 0.44
PSMB5 P28074 1/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTSS P25774 3/20 0.43
CTSK P43235 3/20 0.43
CTSB P07858 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL6679755 0.84 CTSS (0.45) ALDH1A1CTSSCTSKCTSBCTSL
SCHEMBL23900516 0.82 JAK2 (0.50) MAPK1LMNAMAPTHSD17B10ALDH1A1
SCHEMBL5254149 0.80 MAPK1 (0.58) MAPK1LMNAMAPTHSD17B10ALDH1A1
SCHEMBL11508276 0.80 MAPK1 (0.58) MAPK1LMNAMAPTHSD17B10ALDH1A1
SCHEMBL2141200 0.79 CTSS (0.48) NPC1CTSSCTSKCTSBCTSL
SCHEMBL2141206 0.79 CTSS (0.48) NPC1CTSSCTSKCTSBCTSL
Hydrochloric Acid SCHEMBL3060655 0.79 MAPK1 (0.57) MAPK1LMNAMAPTHSD17B10ALDH1A1
SCHEMBL3068695 0.79 CYP3A4 (0.52) MAPK1LMNAMAPTHSD17B10ALDH1A1
SCHEMBL14349424 0.79 KLK5 (0.57) MAPK1LMNAMAPTALDH1A1CTSS
SCHEMBL6028330 0.79 KLK5 (0.48) NPC1CTSSCTSKCTSBCTSL

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 11 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
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
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 MAPK1 1445/4885LMNA 3673/4885MAPT 3398/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 MAPK1 1445/4885LMNA 3673/4885MAPT 3398/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 MAPK1 1142/4885LMNA 3427/4885MAPT 3572/4885
US-20030144507-A1 Sulfonamide-containing heterocyclic compounds SLC5A2, SLC5A1, CBR3 MAPK1 1836/4885LMNA 3807/4885MAPT 4324/4885

“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.