SCHEMBL1809322

SCHEMBL1809322

CCCCC(N)(C(=O)NO)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.41
ARG2 P78540 1/20 0.41
FDPS P14324 3/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
HSP90AA1 P07900 1/20 0.34
MMP8 P22894 2/20 0.34
SLC15A1 P46059 1/20 0.33
SMPD1 P17405 2/20 0.32
MEN1 O00255 1/20 0.32
FAAH O00519 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
EPHX1 P07099 1/20 0.31
ODC1 P11926 1/20 0.31

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
SCHEMBL10305471 0.85 ARG1 (0.41) ARG1ARG2FDPSCA1CA2
SCHEMBL14689712 0.79 ARG1 (0.62) ARG1ARG2FDPSSMPD1MEN1
SCHEMBL7514553 0.78 ARG1 (0.41) ARG1ARG2FDPSCA1CA2
SCHEMBL28854048 0.76 FDPS (0.36) ARG1ARG2FDPSCA1CA2
Water SCHEMBL27925668 0.72 ARG1 (0.64) ARG1ARG2FDPSSMPD1ODC1
SCHEMBL28009580 0.72 ARG1 (0.64) ARG1ARG2FDPSSMPD1ODC1
SCHEMBL10598507 0.71 HSP90AA1 (0.41) FDPSCA1CA2HSP90AA1HDAC7
SCHEMBL1809316 0.70 HDAC8 (0.39) CA1CA2MMP8HDAC7HDAC8
SCHEMBL4431635 0.70 CA1 (0.41) CA1CA2HSP90AA1MEN1KMT2A
SCHEMBL1096908 0.68 ARG1 (0.46) ARG1ARG2FDPSCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951972-B2 Human adam-10 inhibitors EXELIXIS, INC. (US) 2011-05-31 US disclosed
US-20090143386-A1 Human adam-10 inhibitors EXELIXIS, INC. 2009-06-04 US disclosed
US-7498358-B2 e.g. N1-hydroxy-N2-[(4-phenoxyphenyl)sulfonyl]-D-argininamide; metallopeptidase inhibitor; antiinflammation, anticarcinogenic, antidiabetic agent; angiogenesis inhibitor; atherosclerosis, stroke, ulcer, infertility, scleroderma, endometriosis, mesothelioma EXELIXIS, INC. (US) 2009-03-03 US disclosed
US-20050227973-A1 Human adam-10 inhibitors EXELIXIS, INC. 2005-10-13 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 (2 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-20050227973-A1 Human adam-10 inhibitors ADAM10, ADAM12, ADAM9 ARG1 1215/4885ARG2 2411/4885FDPS 1084/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 ARG1 1532/4885ARG2 2354/4885FDPS 1117/4885

“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.