SCHEMBL10290448

SCHEMBL10290448

CCCCCCC(NCC)C(=O)N1CC(C)(O)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 5/20 0.38
MMP9 P14780 3/20 0.38
ACE P12821 3/20 0.34
GPR84 Q9NQS5 5/20 0.34
FFAR1 O14842 1/20 0.34
ZDHHC7 Q9NXF8 1/20 0.34
MAPT P10636 1/20 0.33
NOD1 Q9Y239 1/20 0.33
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33
SIRT1 Q96EB6 1/20 0.33

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
SCHEMBL16417915 0.88 ACE (0.34) ACEGPR84FFAR1ZDHHC7MAPT
SCHEMBL12352384 0.87 ARG1 (0.34) ACEGPR84FFAR1ZDHHC7MAPT
SCHEMBL23049524 0.85 ACE (0.32) ACEGPR84FFAR1ZDHHC7MAPT
SCHEMBL10290922 0.85 MMP3 (0.40) MMP3MMP9ACEFFAR1MAPT
SCHEMBL16417920 0.83 CA1 (0.44) GPR84FFAR1MAPTLCKPPARD
SCHEMBL10290409 0.82 EPHX1 (0.38) MMP3MMP9ACEGPR84FFAR1
SCHEMBL22294273 0.81 CA1 (0.46) GPR84FFAR1MAPT
SCHEMBL12352194 0.81 CA1 (0.46) GPR84FFAR1MAPT
SCHEMBL10290154 0.80 L3MBTL1 (0.42) MMP3MMP9ACEGPR84FFAR1
SCHEMBL10290342 0.79 MMP3 (0.39) MMP3MMP9ACEGPR84FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 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-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 MMP3 161/4885MMP9 175/4885ACE 212/4885

“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.