SCHEMBL6037539

SCHEMBL6037539

[CH2]c1ccc(NC(=O)c2c[nH]c3ccccc23)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CFTR P13569 6/20 0.63
HRH3 Q9Y5N1 1/20 0.59
NPC1 O15118 4/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
RAB9A P51151 2/20 0.57
HTR2C P28335 3/20 0.56
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
PBRM1 Q86U86 1/20 0.55
MAOB P27338 1/20 0.54
GPR84 Q9NQS5 1/20 0.54

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
SCHEMBL4430677 0.88 CFTR (0.80) CFTRHRH3NPC1MEN1KMT2A
SCHEMBL20567516 0.85 STING1 (0.64) CFTRHRH3NPC1MEN1KMT2A
SCHEMBL20567704 0.85 STING1 (0.64) CFTRHRH3NPC1MEN1KMT2A
SCHEMBL20567521 0.85 STING1 (0.64) CFTRHRH3NPC1MEN1KMT2A
SCHEMBL20567856 0.85 CFTR (0.63) CFTRHRH3NPC1MEN1KMT2A
SCHEMBL6037542 0.85 NPC1 (0.75) CFTRHRH3NPC1MEN1KMT2A
SCHEMBL28583845 0.84 NHERF1 (0.68) CFTRHRH3NPC1MEN1KMT2A
SCHEMBL3767352 0.82 CFTR (0.63) CFTRHRH3NPC1MEN1KMT2A
SCHEMBL29753973 0.82 CFTR (0.63) CFTRHRH3NPC1MEN1KMT2A
SCHEMBL25142508 0.81 CFTR (0.58) CFTRHRH3NPC1MEN1KMT2A

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-6630503-B1 Non-peptidic sulfonamide compounds that specifically inhibit the binding of ligands to VLA-4 for inhibition, prevention and suppression of VLA-4-mediated cell adhesion and pathologies such as inflammation and immune reactions 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
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 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 CFTR 688/4885HRH3 392/4885NPC1 2649/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM CFTR 688/4885HRH3 392/4885NPC1 2649/4885

“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.