SCHEMBL5273139

SCHEMBL5273139

COc1cccc(CC(=O)O)c1NC(N)=O.c1cc2ccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 2/20 0.45
▸ MMP2 P08253 2/20 0.45
▸ MMP9 P14780 2/20 0.45
▸ MMP12 P39900 2/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ HTT P42858 1/20 0.44
▸ MMP1 P03956 1/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ MMP14 P50281 1/20 0.41
▸ MMP16 P51512 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ LTB4R Q15722 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL5852133 0.88 SUCNR1 (0.44) NR3C2HSD17B10
SCHEMBL5281937 0.84 MTNR1A (0.49) NR3C2MEN1KMT2AHTTALDH1A1
SCHEMBL1440034 0.79 ALDH1A1 (0.53) NR3C2HTTHSD17B10POLBSMN1; SMN2
SCHEMBL7079595 0.78 HIF1A (0.60) MEN1KMT2AHSD17B10POLBSMN1; SMN2
SCHEMBL5350823 0.74 PTGS2 (0.53) MEN1KMT2APOLBSMN1; SMN2NPC1
SCHEMBL6037558 0.74 MTNR1A (0.45) NR3C2KDM4EMAPTL3MBTL1
SCHEMBL7224585 0.74 HSD17B10 (0.46) MMP2MMP9MMP12MEN1KMT2A
SCHEMBL7425754 0.74 CFD (0.40) NR3C2ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL6543559 0.74 KMT2A (0.52) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL5270832 0.73 SUCNR1 (0.56) MMP2MMP9MMP12HTTMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842196-B1 CELL ADHESION INHIBITORS BIOGEN IDEC INC (US) 2007-11-21 — — EP disclosed
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-6875743-B1 Cell adhesion inhibitors BIOGEN, INC. (US) 2005-04-05 — — 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-6596687-B1 For treatment of many inflammatory and autoimmune diseases BIOGEN, INC. 2003-07-22 — — 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
US-6248713-B1 OLIGOPEPTIDE FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BIOGEN, INC. 2001-06-19 — — US disclosed
US-6239108-B1 Cell adhesion inhibitors BIOGEN, INC. 2001-05-29 — — US disclosed
EP-0842196-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1998-05-20 — — EP disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 — — EP disclosed
WO-1997003094-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-01-30 — — WO 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 NR3C2 3128/4885MMP2 621/4885MMP9 339/4885
US-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM NR3C2 3128/4885MMP2 621/4885MMP9 339/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM NR3C2 3128/4885MMP2 621/4885MMP9 339/4885

“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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