SCHEMBL5480973

SCHEMBL5480973

O=C(O)Cc1ccccc1NC(=O)c1c[nH]c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 5/20 0.64
NHERF1 O14745 1/20 0.60
NPC1 O15118 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ADAM17 P78536 1/20 0.51
NR1H4 Q96RI1 1/20 0.49
RAB9A P51151 1/20 0.49
GPR84 Q9NQS5 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.48
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 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
SCHEMBL72972 0.83 NHERF1 (0.54) CFTRNHERF1NPC1MEN1KMT2A
SCHEMBL28577422 0.81 MEN1 (0.65) CFTRNHERF1NPC1MEN1KMT2A
SCHEMBL73753 0.81 NHERF1 (0.51) CFTRNHERF1NPC1MEN1KMT2A
SCHEMBL20567854 0.80 NPC1 (0.68) CFTRNHERF1NPC1MEN1KMT2A
SCHEMBL27075304 0.80 NPC1 (0.68) CFTRNHERF1NPC1MEN1KMT2A
SCHEMBL397016 0.79 CFTR (0.78) CFTRNHERF1NPC1MEN1KMT2A
SCHEMBL2436159 0.78 ITGB1 (0.55) CFTRNHERF1NPC1MEN1KMT2A
SCHEMBL2430369 0.78 NPC1 (0.50) CFTRNHERF1NPC1MEN1KMT2A
SCHEMBL397563 0.78 CFTR (1.00) CFTRNHERF1NPC1MEN1KMT2A
SCHEMBL20567514 0.78 NPC1 (0.65) CFTRNHERF1NPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265606-B9 CELL ADHESION INHIBITORS BIOGEN IDEC INC (US) 2007-02-28 EP disclosed
EP-1741428-A2 Cell adhesion inhibitors Biogen Idec MA, Inc. (US) 2007-01-10 EP disclosed
EP-1265606-B1 CELL ADHESION INHIBITORS BIOGEN IDEC INC (US) 2006-10-25 EP disclosed
US-20060166961-A1 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2006-07-27 US disclosed
US-7034043-B2 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2006-04-25 US disclosed
US-20040132809-A1 Cell adhesion inhibitors BIOGEN, INC. 2004-07-08 US disclosed
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 disclosed
EP-1265606-A4 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-18 EP disclosed
EP-1265606-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 2002-12-18 EP disclosed
WO-2001012186-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 2001-02-22 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-20040132809-A1 Cell adhesion inhibitors VCAM1, ICAM1, EPCAM CFTR 4038/4885NHERF1 735/4885NPC1 2287/4885
US-20060166961-A1 Cell adhesion inhibitors VCAM1, ICAM1, EPCAM CFTR 3629/4885NHERF1 615/4885NPC1 2546/4885

“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.