SCHEMBL6037547

SCHEMBL6037547

NC(=O)N(O)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.56
RIPK1 Q13546 1/20 0.53
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 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
SCHEMBL3279004 0.84 ALOX5 (0.60) ALOX5RIPK1PTGS1PTGS2NPC1
SCHEMBL9474556 0.83 ALOX5 (0.74) ALOX5PTGS1PTGS2
SCHEMBL8550223 0.83 ALOX5 (0.56) ALOX5RIPK1
SCHEMBL27689452 0.82 ALOX5 (0.51) ALOX5CA12CA9
SCHEMBL6685647 0.80 LMNA (0.52) NPC1RAB9ACA12CA9
SCHEMBL1386528 0.80 LMNA (0.57) NPC1RAB9ACA12CA9
SCHEMBL11127626 0.80 ALOX5 (0.56) ALOX5RIPK1PTGS1PTGS2NPC1
SCHEMBL13381776 0.79 ALOX5 (0.61) ALOX5RIPK1PTGS1PTGS2NPC1
SCHEMBL29077894 0.79 ALOX5 (0.53) ALOX5RIPK1
SCHEMBL9372536 0.79 ALOX5 (0.53) ALOX5

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US claimed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US claimed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO claimed
US-20060166866-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2006-07-27 US disclosed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US disclosed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US disclosed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP disclosed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP disclosed
CN-1090284-A The anti-inflammatory of dual-use function and immunosuppressor CYTOMED INC (US) 1994-08-03 CN disclosed
WO-1990001929-A1 NEW MEDICAL USE THE WELLCOME FOUNDATION LIMITED (GB) 1990-03-08 WO 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 (2 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-20060166866-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM ALOX5 124/4885RIPK1 1412/4885PTGS1 355/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM ALOX5 124/4885RIPK1 1412/4885PTGS1 355/4885

“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.