SCHEMBL6796431

SCHEMBL6796431

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

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 6/20 0.69
MMP1 P03956 5/20 0.69
MMP2 P08253 5/20 0.69
MMP9 P14780 2/20 0.59
ADAM17 P78536 2/20 0.59
CAPN1 P07384 5/20 0.56
FCER2 P06734 4/20 0.55
MMP7 P09237 3/20 0.53
BIRC2 Q13490 1/20 0.53
MMP8 P22894 2/20 0.52
MMP12 P39900 1/20 0.52
MMP13 P45452 1/20 0.52
MMP14 P50281 1/20 0.52

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
SCHEMBL6808350 0.89 MMP1 (0.54) MMP3MMP1MMP2CAPN1FCER2
SCHEMBL4425181 0.86 MMP2 (0.74) MMP3MMP1MMP2MMP9ADAM17
SCHEMBL4431930 0.86 MMP1 (0.73) MMP3MMP1MMP2MMP9ADAM17
SCHEMBL15505966 0.82 MMP1 (1.00) MMP3MMP1MMP2MMP9ADAM17
SCHEMBL6801588 0.82 MMP2 (0.62) MMP3MMP1MMP2MMP9ADAM17
SCHEMBL6798668 0.78 ALDH1A1 (0.62)
SCHEMBL20880302 0.77 CAPN1 (0.72) CAPN1
SCHEMBL10975356 0.77 CAPN1 (0.73) MMP3MMP1MMP2CAPN1
SCHEMBL4428170 0.76 MMP2 (0.81) MMP3MMP1MMP2MMP9ADAM17
SCHEMBL3837378 0.75 CAPN1 (0.75) CAPN1

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-6790834-B1 Cytostatic agents BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2004-09-14 US claimed
EP-0925278-B1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARM (GB) 2002-07-17 EP claimed
CN-112469439-A With leukotriene A4Hydrolase modulators for the treatment of aging-related diseases 万能溶剂有限公司 2021-03-09 CN disclosed
US-20190350917-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase ALKAHEST, INC. 2019-11-21 US disclosed
US-6790834-B1 Cytostatic agents BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2004-09-14 US disclosed
US-6462023-B1 SUCH AS 2-HYDROXY-HYDROXYCARBAMOYL-METHYL)-4-METHYL-PENTANOYLAMINE)-2-PHENYL -ETHANOIC ACID CYCLOPENTYL ESTER; INHIBITING HYPERPROLIFERATIVE TUMOURGENIC CELLS SUCH AS MELANOMA AND/OR LYMPHOMA CELLS BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2002-10-08 US disclosed
EP-0925278-B1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARM (GB) 2002-07-17 EP disclosed
US-6306881-B1 ENZYME INHIBITORS ADMINISTERED TO MAMMALS AS ANTIINFLAMMATORY AGENTS BRITISH BIOTECH PHARMACEUTICALS (GB) 2001-10-23 US disclosed
US-6251940-B1 ADMINISTERING TO THE MAMMAL SUFFERING FROM A DISEASES RESPONSIVE TO INHIBIT MONOCYTE AND/OR MACROPHASE AND/OR LYMPHOCYTE ACTIVATION AND OF LYMPHOCYTE PROLIFERATION AN AMIDE DERIVATIVE BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2001-06-26 US disclosed
US-6169075-B1 ANTITUMOR AGENT INHIBITING THE PROLIFERATION OF A RANGE OF RAPIDLY DIVIDING TUMOUR CELLS LIKE MELANOMA AND/OR LYMPHOMA CELLS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-01-02 US disclosed
EP-0925278-A1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-06-30 EP disclosed
WO-1998011063-A1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-03-19 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 (1 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-20190350917-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S MMP3 455/4885MMP1 644/4885MMP2 507/4885

“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.