SCHEMBL386052

SCHEMBL386052

O=C(O)CCCC1CC(=O)N1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.59
ITGA5 P08648 2/20 0.59
ITGB3 P05106 1/20 0.59
ITGB2 P05107 1/20 0.59
ITGAV P06756 1/20 0.59
ITGA2B P08514 1/20 0.59
ITGB5 P18084 1/20 0.59
ITGAL P20701 1/20 0.59
HDAC3 O15379 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
TDP1 Q9NUW8 4/20 0.42
HDAC6 Q9UBN7 2/20 0.41
ABL1 P00519 2/20 0.41
IDE P14735 2/20 0.41
RIN1 Q13671 2/20 0.41
PPARG P37231 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41

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
SCHEMBL385148 1.00 ITGB1 (0.59) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL7264417 0.88 ITGB1 (0.63) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL197943 0.79 ITGB1 (0.40) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL14141170 0.75 ITGB1 (0.47) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL2582193 0.74 TDP1 (0.45) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL27049775 0.74 ITGB1 (0.47) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL11032630 0.74
SCHEMBL3102769 0.74
SCHEMBL11212045 0.74
SCHEMBL1114601 0.73 ITGB1 (0.50) ITGB1ITGA5ITGB3ITGB2ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2416799-B1 PAR-1 ACTIVATION BY METALLOPROTEINASE-1 (MMP-1) TUFTS MEDICAL CT INC (US) 2017-11-01 EP disclosed
US-20170065668-A1 PAR-1 Activation by Metalloproteinase-1 (MMP-1) TUFTS MEDICAL CENTER, INC. (US) 2017-03-09 US disclosed
EP-2990051-B1 PAR-1 ACTIVATION BY METALLOPROTEINASE-1 (MMP-1) TUFTS MEDICAL CT INC (US) 2016-10-26 EP disclosed
EP-3061460-A1 PAR-1 ACTIVATION BY METALLOPROTEINASE-1 (MMP-1) Tufts Medical Center, Inc. (US) 2016-08-31 EP disclosed
US-9376499-B2 PAR-1 activation by metalloproteinase-1 (MMP-1) TUFTS MEDICAL CENTER, INC. (US) 2016-06-28 US disclosed
EP-2990051-A1 PAR-1 ACTIVATION BY METALLOPROTEINASE-1 (MMP-1) Tufts Medical Center, Inc. (US) 2016-03-02 EP disclosed
US-9012603-B2 Peptides that block the binding of IgG to FcRn BIOGEN IDEC HEMOPHILIA INC. (US) 2015-04-21 US disclosed
US-20150023975-A1 PAR-1 Activation by Metalloproteinase-1 (MMP-1) NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-01-22 US disclosed
US-8906844-B2 Immunomodulatory peptides BIOGEN IDEC HEMOPHILIA INC. (US) 2014-12-09 US disclosed
US-20120121706-A1 PAR-1 Activation by Metalloproteinase-1 (MMP-1) TUFTS MEDICAL CENTER, INC. (US) 2012-05-17 US disclosed
US-8101186-B2 Peptides that block the binding of IgG to FcRn SYNTONIX PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20110230639-A1 IMMUNOMODULATORY PEPTIDES SYNTONIX PHARMACEUTICALS INC. (US) 2011-09-22 US disclosed
US-20110059889-A1 PEPTIDES THAT BLOCK THE BINDING OF IgG TO FcRn SYNTONIX PHARMACEUTICALS, INC. 2011-03-10 US disclosed
EP-1370276-B1 INTERCELLULAR COMMUNICATION FACILITATING COMPOUNDS AND THEIR MEDICAL USE ZEALAND PHARMA AS (DK) 2011-02-09 EP disclosed
US-20100048488-A1 IMMUNOMODULATORY PEPTIDES SYNTONIX PHARMACEUTICALS, INC. 2010-02-25 US disclosed
US-7585839-B2 Cyclic and linear oligopeptides; capable of increasing gap junction conductance; lack the proarrhythmic side effects; use as drug to also treat eye disorders, cancer, and gastrointestinal disorders among others ZEALAND PHARMA A/S (DK) 2009-09-08 US disclosed
EP-1991572-A2 PEPTIDES THAT BLOCK THE BINDING OF IGG TO FCRN SYNTONIX PHARMACEUTICALS, INC. (US) 2008-11-19 EP disclosed
US-20070254831-A1 PEPTIDES THAT BLOCK THE BINDING OF IgG to FcRn BIOGEN HEMOPHILIA INC. 2007-11-01 US disclosed
WO-2007098420-A2 PEPTIDES THAT BLOCK THE BINDING OF IGG TO FCRN SYNTONIX PHARMACEUTICALS, INC. (US) 2007-08-30 WO disclosed
US-20050113293-A1 Medical uses of intercellular communication facilitating compounds ZEALAND PHARMA A/S 2005-05-26 US 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 (8 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-20120121706-A1 PAR-1 Activation by Metalloproteinase-1 (MMP-1) F2R, PLAT, F2RL1 ITGB1 411/4885ITGA5 473/4885ITGB3 565/4885
US-20170065668-A1 PAR-1 Activation by Metalloproteinase-1 (MMP-1) F2R, F2RL1, PLAT ITGB1 391/4885ITGA5 481/4885ITGB3 562/4885
US-20150023975-A1 PAR-1 Activation by Metalloproteinase-1 (MMP-1) F2R, F2RL1, PLAT ITGB1 391/4885ITGA5 481/4885ITGB3 562/4885
US-20050113293-A1 Medical uses of intercellular communication facilitating compounds GJB2, GJA1, TNNI3 ITGB1 1862/4885ITGA5 1907/4885ITGB3 1066/4885
US-20110059889-A1 PEPTIDES THAT BLOCK THE BINDING OF IgG TO FcRn FCGRT, FCGR3B, FCGR1A ITGB1 876/4885ITGA5 338/4885ITGB3 588/4885
US-20070254831-A1 PEPTIDES THAT BLOCK THE BINDING OF IgG to FcRn FCGRT, FCGR3B, FCGR1A ITGB1 876/4885ITGA5 338/4885ITGB3 588/4885
US-20100048488-A1 IMMUNOMODULATORY PEPTIDES FCGRT, FCGR3B, FCGR2A ITGB1 1659/4885ITGA5 945/4885ITGB3 1218/4885
US-20110230639-A1 IMMUNOMODULATORY PEPTIDES FCGRT, FCGR3B, FCGR2A ITGB1 1375/4885ITGA5 672/4885ITGB3 964/4885

“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.