SCHEMBL1844385

SCHEMBL1844385

CC(C)C[C@@H](C(=O)NN1CC(=O)NC1=O)[C@H](CC=Cc1ccccc1)C(=O)NO

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.55
MMP3 P08254 16/20 0.41
MMP2 P08253 15/20 0.41
MMP7 P09237 13/20 0.41
MMP1 P03956 14/20 0.41
MMP8 P22894 3/20 0.41
MMP9 P14780 2/20 0.41
MMP14 P50281 2/20 0.41
MMP13 P45452 2/20 0.41
MMP12 P39900 1/20 0.41
APP P05067 1/20 0.38
FCER2 P06734 1/20 0.37

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
SCHEMBL7955135 1.00 ADAM17 (0.55) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL1844380 1.00 ADAM17 (0.55) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL7955133 1.00 ADAM17 (0.55) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL13274078 1.00 ADAM17 (0.55) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL7836742 0.94 ADAM17 (0.48) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL7835742 0.94 ADAM17 (0.48) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL7836616 0.90 ADAM17 (0.53) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL7960536 0.88 ADAM17 (0.43) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL7837198 0.88 ADAM17 (0.43) ADAM17MMP3MMP2MMP7MMP1
SCHEMBL7837197 0.88 ADAM17 (0.43) ADAM17MMP3MMP2MMP7MMP1

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-20100226922-A1 SPECIFIC PROTEASE INHIBITORS AND THEIR USE IN CANCER THERAPY HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM FUER GESUNDHEIT UND UMWELT (GMBH) (DE) 2010-09-09 US claimed
US-20040122011-A1 Method of using a COX-2 inhibitor and a TACE inhibitors as a combination therapy PHARMACIA CORPORATION 2004-06-24 US claimed
EP-2041181-B1 SPECIFIC PROTEASE INHIBITORS AND THEIR USE IN CANCER THERAPY HELMHOLTZ ZENTRUM MUENCHEN (DE) 2011-05-18 EP disclosed
US-20100226922-A1 SPECIFIC PROTEASE INHIBITORS AND THEIR USE IN CANCER THERAPY HELMHOLTZ ZENTRUM MUENCHEN DEUTSCHES FORSCHUNGSZENTRUM FUER GESUNDHEIT UND UMWELT (GMBH) (DE) 2010-09-09 US disclosed
EP-1865001-A1 Specific protease inhibitors and their use in cancer therapy GSF-FORSCHUNGSZENTRUM FÜR UMWELT UND GESUNDHEIT, GMBH (DE) 2007-12-12 EP disclosed
US-6281363-B1 ANTIINFLAMMATORY AGENTS; ANTIARTHRITIC AGENTS; AUTOIMMUNE DISORDERS HOFFMANN-LA ROCHE INC. 2001-08-28 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-20040122011-A1 Method of using a COX-2 inhibitor and a TACE inhibitors as a combination therapy PTGES2, PTGS2, PTGIS ADAM17 22/4885MMP3 39/4885MMP2 60/4885

“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.