SCHEMBL4351102

SCHEMBL4351102

CC(C)C[C@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 16/20 0.84
MMP8 P22894 13/20 0.84
MMP9 P14780 13/20 0.84
MMP1 P03956 7/20 0.80
MMP14 P50281 2/20 0.66
ADAM10 O14672 1/20 0.66
ADAM12 O43184 1/20 0.66
ADAMTS4 O75173 1/20 0.66
MMP3 P08254 1/20 0.66
MMP7 P09237 1/20 0.66
MMP12 P39900 1/20 0.66
MMP13 P45452 1/20 0.66
MMP15 P51511 1/20 0.66
MMP16 P51512 1/20 0.66
ADAM17 P78536 1/20 0.66
ADAM9 Q13443 1/20 0.66
MMP26 Q9NRE1 1/20 0.66
MMP17 Q9ULZ9 1/20 0.66
ADAMTS5 Q9UNA0 1/20 0.66
ECE1 P42892 1/20 0.65

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
SCHEMBL29458410 1.00 MMP2 (0.84) MMP2MMP8MMP9MMP1MMP14
SCHEMBL6577793 0.89 MMP2 (1.00) MMP2MMP8MMP9MMP1MMP14
SCHEMBL4795667 0.89 MMP2 (0.85) MMP2MMP8MMP9MMP1MMP14
SCHEMBL6575025 0.89 MMP2 (0.85) MMP2MMP8MMP9MMP1MMP14
SCHEMBL6575485 0.87 MMP1 (0.82) MMP2MMP8MMP9MMP1MMP14
SCHEMBL7412775 0.86 MMP2 (0.84) MMP2MMP8MMP9MMP1MMP14
SCHEMBL8201153 0.85 MMP9 (0.80) MMP2MMP8MMP9MMP1MMP3
SCHEMBL8201151 0.85 MMP9 (0.80) MMP2MMP8MMP9MMP1MMP3
SCHEMBL8850370 0.85 MMP9 (0.80) MMP2MMP8MMP9MMP1MMP3
SCHEMBL7457278 0.84 MMP1 (0.78) MMP2MMP8MMP9MMP1MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5892112-A ACYLATION OF AMINO ACIDS WITH ANHYDRIDES OR CARBOXY GROUPS, AMIDATION WITH AMINE AND CONVERSION OF ACID OR ESTER TO HYDROXAMIC ACID AND HYDROLYSIS GLYCOMED INCORPORATED (US) 1999-04-06 US claimed
US-9745567-B2 Compositions and methods for treating multiple sclerosis REVALESIO CORPORATION (US) 2017-08-29 US disclosed
US-20120114702-A1 COMPOSITIONS AND METHODS FOR TREATING ASTHMA AND OTHER LUNG DISORDERS REVALESIO CORPORATION 2012-05-10 US disclosed
WO-2010062628-A1 COMPOSITIONS AND METHODS FOR TREATING ASTHMA AND OTHER LUNG DISORDERS REVALESIO CORPORATION (US) 2010-06-03 WO 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-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-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
US-20100004189-A1 COMPOSITIONS AND METHODS FOR TREATING CYSTIC FIBROSIS REVALESIO CORPORATION (US) 2010-01-07 US disclosed
US-20090280153-A1 electrical devices, anti-scarring agents, and therapeutic compositions ANGIOTECH INTERNATIONAL AG (CH) 2009-11-12 US disclosed
US-20090226500-A1 SUTURES AND ANTI-SCARRING AGENTS ANGIOTECH PHARMACEUTICALS, INC (CA) 2009-09-10 US disclosed
EP-1978930-A2 SUTURES AND ANTI-SCARRING AGENTS Angiotech Pharmaceuticals, Inc. (CA) 2008-10-15 EP disclosed
WO-2007089878-A2 SUTURES AND ANTI-SCARRING AGENTS ANGIOTECH PHARMACEUTICALS, INC. (CA) 2007-08-09 WO disclosed
WO-2006121522-A2 IMPLANTABLE SENSORS AND PUMPS, ANTI-SCARRING AGENTS, AND THERAPEUTIC COMPOSITIONS ANGIOTECH INTERNATIONAL AG (CH) 2006-11-16 WO disclosed
WO-2006121518-A2 ELECTRICAL DEVICES, ANTI-SCARRING AGENTS, AND THERAPEUTIC COMPOSITIONS ANGIOTECH INTERNATIONAL AG (CH) 2006-11-16 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 (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 1204/4885MMP9 2331/4885
US-20120114702-A1 COMPOSITIONS AND METHODS FOR TREATING ASTHMA AND OTHER LUNG DISORDERS CHRM3, CHRNG, GRK3 MMP2 2528/4885MMP8 793/4885MMP9 2566/4885
US-20100004189-A1 COMPOSITIONS AND METHODS FOR TREATING CYSTIC FIBROSIS CFTR, GJB2, KRAS MMP2 2983/4885MMP8 1039/4885MMP9 3488/4885
US-20090226500-A1 SUTURES AND ANTI-SCARRING AGENTS COL1A1, COL2A1, COL14A1 MMP2 55/4885MMP8 9/4885MMP9 121/4885
US-20090280153-A1 electrical devices, anti-scarring agents, and therapeutic compositions GAP43, TNNC1, GJB2 MMP2 338/4885MMP8 40/4885MMP9 328/4885
US-20100098659-A1 COMPOSITIONS AND METHODS FOR TREATING MATRIX METALLOPROTEINASE 9 (MMP9)-MEDIATED CONDITIONS MMP9, MMP14, MMP10 MMP2 11/4885MMP8 19/4885MMP9 1/4885
US-20100008997-A1 COMPOSITIONS AND METHODS FOR TREATING ASTHMA AND OTHER LUNG DISORDERS RGS17, RGS16, CHRM3 MMP2 2273/4885MMP8 626/4885MMP9 2038/4885

“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.