SCHEMBL4290067

SCHEMBL4290067

C[C@@H](O)[C@@H](CCCc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.41
MMP3 P08254 5/20 0.41
EPHX2 P34913 2/20 0.39
HPGD P15428 1/20 0.39
MMP1 P03956 1/20 0.39
MGLL Q99685 1/20 0.38
FKBP1A P62942 1/20 0.38

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
SCHEMBL7478743 0.89 MMP2 (0.39) MMP2MMP3MMP1MGLLFKBP1A
SCHEMBL7840445 0.88 MMP1 (0.46) MMP2MMP3EPHX2MMP1
SCHEMBL6983815 0.84 MMP1 (0.41) MMP2MMP3EPHX2HPGDMMP1
SCHEMBL4287736 0.82 EPHX2 (0.40) MMP2MMP3EPHX2HPGDMGLL
SCHEMBL6942326 0.81 MMP1 (0.39) MMP2MMP3MMP1
SCHEMBL7840440 0.81 LMNA (0.40) MMP2MMP3EPHX2MMP1MGLL
SCHEMBL6221034 0.80 MMP1 (0.38) MMP2MMP3MMP1FKBP1A
SCHEMBL6986861 0.80 MMP2 (0.34) MMP2MMP3EPHX2MMP1MGLL
SCHEMBL7842288 0.79 MMP1 (0.37) MMP2MMP3MMP1
SCHEMBL7486546 0.79 MGLL (0.40) EPHX2HPGDMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247451-B2 ADAM10 and its uses related to infection VANDERBILT UNIVERSITY (US) 2012-08-21 US disclosed
US-20090220514-A1 ADAM10 and its Uses Related to Infection VANDERBILT UNIVERSITY 2009-09-03 US disclosed
EP-1984500-A2 ADAM10 AND ITS USES RELATED TO INFECTION VANDERBILT UNIVERSITY (US) 2008-10-29 EP disclosed
WO-2007084488-A2 ADAM10 AND ITS USES RELATED TO INFECTION VANDERBILT UNIVERSITY (US) 2007-07-26 WO disclosed
EP-1121118-A4 FORMAMIDES AS THERAPEUTIC AGENTS GLAXO GROUP LTD (GB) 2002-09-11 EP disclosed
US-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed
EP-1121118-A1 FORMAMIDES AS THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2001-08-08 EP disclosed
US-6172064-B1 METALLOPROTEASE INHIBITOR; ANTIARTHRITIC AGENTS, ANTIDIABETIC AGENTS; ANTITUMOR AGENTS GLAXO WELLCOME INC. 2001-01-09 US disclosed
WO-2000012083-A1 FORMAMIDES AS THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2000-03-09 WO disclosed
WO-2000012082-A1 FORMAMIDE COMPOUNDS AS THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2000-03-09 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-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 MMP2 223/4885MMP3 169/4885EPHX2 2178/4885

“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.