SCHEMBL14453057

SCHEMBL14453057

O=C(OCl)C1CCCCN1C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 7/20 0.61
KLK7 P49862 1/20 0.58
KLK5 Q9Y337 1/20 0.58
PREP P48147 3/20 0.57
CTRB1 P17538 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
CTSB P07858 1/20 0.53
CTSS P25774 1/20 0.53
CTSK P43235 1/20 0.53

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
SCHEMBL839568 0.96 KLK7 (0.62) FKBP1AKLK7KLK5PREPCTRB1
SCHEMBL630096 0.88 FKBP1A (0.71) FKBP1AKLK7KLK5PREPNPSR1
SCHEMBL3578099 0.88 FKBP1A (0.71) FKBP1AKLK7KLK5PREPNPSR1
SCHEMBL27881364 0.87 PREP (0.60) FKBP1AKLK7KLK5PREPCTRB1
SCHEMBL630241 0.87 PREP (0.62) FKBP1AKLK7KLK5PREPCTRB1
SCHEMBL82714 0.87 PREP (0.62) FKBP1AKLK7KLK5PREPCTRB1
SCHEMBL630208 0.87 PREP (0.62) FKBP1AKLK7KLK5PREPCTRB1
SCHEMBL16272917 0.87 FKBP1A (0.66) FKBP1AKLK7KLK5PREPCTRB1
SCHEMBL7326760 0.87 FKBP1A (0.66) FKBP1AKLK7KLK5PREPCTRB1
SCHEMBL8280028 0.86 FKBP1A (0.66) FKBP1AKLK7KLK5PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 FKBP1A 1084/4885KLK7 1123/4885KLK5 849/4885

“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.