SCHEMBL4287736

SCHEMBL4287736

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.40
MMP2 P08253 6/20 0.39
MMP3 P08254 3/20 0.39
MGLL Q99685 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FKBP1A P62942 1/20 0.38
SLC6A3 Q01959 2/20 0.38
HPGD P15428 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
SCHEMBL7486546 0.96 MGLL (0.40) EPHX2MGLLMEN1KMT2AHPGD
SCHEMBL7485197 0.92 MEN1 (0.37) MMP2MMP3MGLLMEN1KMT2A
SCHEMBL7431338 0.91 PPARG (0.40) MGLLMEN1KMT2AFKBP1AHPGD
SCHEMBL7423731 0.87 MGLL (0.39) MMP2MMP3MGLLMEN1KMT2A
SCHEMBL7953190 0.86 NPC1 (0.37) MEN1KMT2AHPGD
SCHEMBL4290067 0.82 MMP2 (0.41) EPHX2MMP2MMP3MGLLFKBP1A
SCHEMBL7840445 0.79 MMP1 (0.46) EPHX2MMP2MMP3
SCHEMBL4293269 0.78 MEN1 (0.38) EPHX2MMP2MMP3MGLLMEN1
SCHEMBL7478743 0.78 MMP2 (0.39) MMP2MMP3MGLLFKBP1A
SCHEMBL7873415 0.78 SLC6A3 (0.36) MEN1KMT2ASLC6A3

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 6 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
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
US-6172064-B1 METALLOPROTEASE INHIBITOR; ANTIARTHRITIC AGENTS, ANTIDIABETIC AGENTS; ANTITUMOR AGENTS GLAXO WELLCOME INC. 2001-01-09 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 (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 EPHX2 2178/4885MMP2 223/4885MMP3 169/4885

“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.