SCHEMBL5852133

SCHEMBL5852133

COc1cccc(CC(=O)O)c1NC(N)=O.Cc1cc2ccc1-2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SUCNR1 Q9BXA5 5/20 0.44
▸ CD274 Q9NZQ7 2/20 0.42
▸ DGAT1 O75907 3/20 0.40
▸ SOAT1 P35610 3/20 0.40
▸ NR3C2 P08235 2/20 0.39
▸ PDCD1 Q15116 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ PTGER1 P34995 1/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ PTGER3 P43115 1/20 0.38
▸ PTGER2 P43116 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CBX7 O95931 1/20 0.38
▸ STING1 Q86WV6 1/20 0.38

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
SCHEMBL5273139 0.88 NR3C2 (0.45) NR3C2HSD17B10
SCHEMBL6037558 0.86 MTNR1A (0.45) SUCNR1NR3C2PDE4DCBX7
SCHEMBL5151913 0.80 SUCNR1 (0.60) SUCNR1PTGS2
SCHEMBL5281937 0.74 MTNR1A (0.49) NR3C2
SCHEMBL5350823 0.72 PTGS2 (0.53) PTGS2
SCHEMBL5477918 0.72 PTGS2 (0.52) SUCNR1NR3C2PTGS2
SCHEMBL1440034 0.72 ALDH1A1 (0.53) NR3C2HSD17B10CBX7
SCHEMBL7079595 0.71 HIF1A (0.60) HSD17B10
SCHEMBL5151907 0.70 SUCNR1 (0.48) SUCNR1PTGS2
SCHEMBL2310865 0.68 STING1 (0.54) HSD17B10STING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060166866-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2006-07-27 — — US disclosed
US-7001921-B1 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2006-02-21 — — US disclosed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 — — US disclosed
US-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 — — US disclosed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 — — 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
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 — — 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 (3 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 SUCNR1 3515/4885CD274 58/4885DGAT1 2297/4885
US-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM SUCNR1 3515/4885CD274 58/4885DGAT1 2297/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM SUCNR1 3515/4885CD274 58/4885DGAT1 2297/4885

“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.

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