SCHEMBL5502507

SCHEMBL5502507

CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)NO)CC(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 1.00
MMP8 P22894 11/20 1.00
MMP1 P03956 11/20 1.00
MMP9 P14780 9/20 1.00
MMP7 P09237 5/20 1.00
MMP3 P08254 5/20 1.00
FCER2 P06734 4/20 1.00
MMP13 P45452 3/20 0.82
MMP12 P39900 2/20 0.82

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
SCHEMBL5099222 0.89 MMP2 (0.80) MMP2MMP8MMP1MMP9MMP7
SCHEMBL4634581 0.88 MMP2 (1.00) MMP2MMP8MMP1MMP9MMP7
SCHEMBL4634587 0.88 MMP2 (1.00) MMP2MMP8MMP1MMP9MMP7
SCHEMBL4634577 0.88 MMP2 (1.00) MMP2MMP8MMP1MMP9MMP7
SCHEMBL8271136 0.88 MMP2 (0.79) MMP2MMP8MMP1MMP9MMP7
SCHEMBL29838142 0.88 MMP2 (1.00) MMP2MMP8MMP1MMP9MMP7
SCHEMBL5556836 0.87 MMP2 (1.00) MMP2MMP8MMP1MMP9MMP7
SCHEMBL5552919 0.87 MMP2 (1.00) MMP2MMP8MMP1MMP9MMP7
SCHEMBL5552911 0.87 MMP2 (1.00) MMP2MMP8MMP1MMP9MMP7
SCHEMBL9284838 0.86 MMP1 (1.00) MMP2MMP8MMP1MMP9MMP7

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745567-B2 Compositions and methods for treating multiple sclerosis REVALESIO CORPORATION (US) 2017-08-29 US disclosed
US-9523090-B2 Compositions and methods for treating inflammation REVALESIO CORPORATION (US) 2016-12-20 US disclosed
US-20120114702-A1 COMPOSITIONS AND METHODS FOR TREATING ASTHMA AND OTHER LUNG DISORDERS REVALESIO CORPORATION 2012-05-10 US disclosed
US-20100098659-A1 COMPOSITIONS AND METHODS FOR TREATING MATRIX METALLOPROTEINASE 9 (MMP9)-MEDIATED CONDITIONS REVALESIO CORPORATION (US) 2010-04-22 US disclosed
US-20100098659-A1 COMPOSITIONS AND METHODS FOR TREATING MATRIX METALLOPROTEINASE 9 (MMP9)-MEDIATED CONDITIONS REVALESIO CORPORATION (US) 2010-04-22 US disclosed
US-20100028443-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATION REVALESIO CORPORATION (US) 2010-02-04 US disclosed
US-20100028441-A1 COMPOSITIONS AND METHODS FOR TREATING MULTIPLE SCLEROSIS REVALESIO CORPORATION (US) 2010-02-04 US disclosed
US-20100015235-A1 COMPOSITIONS AND METHODS FOR TREATING MULTIPLE SCLEROSIS REVALESIO CORPORATION (US) 2010-01-21 US disclosed
US-20100015235-A1 COMPOSITIONS AND METHODS FOR TREATING MULTIPLE SCLEROSIS REVALESIO CORPORATION (US) 2010-01-21 US disclosed
US-20100008997-A1 COMPOSITIONS AND METHODS FOR TREATING ASTHMA AND OTHER LUNG DISORDERS REVALESIO CORPORATION (US) 2010-01-14 US disclosed
US-20100004189-A1 COMPOSITIONS AND METHODS FOR TREATING CYSTIC FIBROSIS REVALESIO CORPORATION (US) 2010-01-07 US disclosed
EP-1796602-A2 MULTIFUNCTIONAL COMPOUNDS FOR FORMING CROSSLINKED BIOMATERIALS AND METHODS OF PREPARATION AND USE Angiotech Pharmaceuticals (US), Inc. (US) 2007-06-20 EP disclosed
WO-2006083260-A2 COMPOSITIONS AND SYSTEMS FOR FORMING CROSSLINKED BIOMATERIALS AND ASSOCIATED METHODS OF PREPARATION AND USE ANGIOTECH BIOMATERIALS CORPORATION (US) 2006-08-10 WO disclosed
WO-2006078282-A2 COMPOSITIONS AND SYSTEMS FOR FORMING CROSSLINKED BIOMATERIALS AND ASSOCIATED METHODS OF PREPARATION AND USE ANGIOTECH BIOMATERIALS CORPORATION (US) 2006-07-27 WO disclosed
WO-2006034128-A2 MULTIFUNCTIONAL COMPOUNDS FOR FORMING CROSSLINKED BIOMATERIALS AND METHODS OF PREPARATION AND USE ANGIOTECH BIOMATERIALS CORPORATION (US) 2006-03-30 WO disclosed
EP-1060161-B1 MATRIX METALLOPROTEINASE INHIBITORS LEO PHARMA AS WITH SECONDARY N (DK) 2003-06-11 EP disclosed
US-6277876-B1 Matrix metalloproteinase inhibitors LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2001-08-21 US disclosed
US-5919940-A TERT-LEUCINE-THIAZOL-2-YLAMIDE BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-07-06 US disclosed
US-5859253-A L-TERT-LEUCINE-2-PYRIDYLAMIDE BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-01-12 US disclosed
US-5747514-A Metalloproteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-05-05 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 (7 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-20100015235-A1 COMPOSITIONS AND METHODS FOR TREATING MULTIPLE SCLEROSIS GJA1, GJB2, GPR180 MMP2 3607/4885MMP8 1204/4885MMP1 1996/4885
US-20120114702-A1 COMPOSITIONS AND METHODS FOR TREATING ASTHMA AND OTHER LUNG DISORDERS CHRM3, CHRNG, GRK3 MMP2 2528/4885MMP8 793/4885MMP1 1698/4885
US-20100028443-A1 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATION EPCAM, GPR180, GJA1 MMP2 2975/4885MMP8 256/4885MMP1 1268/4885
US-20100004189-A1 COMPOSITIONS AND METHODS FOR TREATING CYSTIC FIBROSIS CFTR, GJB2, KRAS MMP2 2983/4885MMP8 1039/4885MMP1 748/4885
US-20100098659-A1 COMPOSITIONS AND METHODS FOR TREATING MATRIX METALLOPROTEINASE 9 (MMP9)-MEDIATED CONDITIONS MMP9, MMP14, MMP10 MMP2 11/4885MMP8 19/4885MMP1 12/4885
US-20100028441-A1 COMPOSITIONS AND METHODS FOR TREATING MULTIPLE SCLEROSIS GJA1, GPR180, AQP4 MMP2 3526/4885MMP8 1463/4885MMP1 1096/4885
US-20100008997-A1 COMPOSITIONS AND METHODS FOR TREATING ASTHMA AND OTHER LUNG DISORDERS RGS17, RGS16, CHRM3 MMP2 2273/4885MMP8 626/4885MMP1 1856/4885

“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.