SCHEMBL19602425

SCHEMBL19602425

COC(=O)[C@@H](NCl)[C@@H](C)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.52
MMP8 P22894 2/20 0.52
TRPM8 Q7Z2W7 1/20 0.46
MMP1 P03956 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RCE1 Q9Y256 1/20 0.44
ANPEP P15144 1/20 0.42
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
THRB P10828 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL30751663 0.85 MMP9 (0.53) MMP9MMP8TRPM8MMP1ALDH1A1
SCHEMBL24814077 0.85 MMP9 (0.53) MMP9MMP8TRPM8MMP1ALDH1A1
SCHEMBL5196368 0.84 TRPM8 (0.58) MMP9MMP8TRPM8ALDH1A1MEN1
SCHEMBL25139529 0.84 MMP9 (0.53) MMP9MMP8TRPM8MMP1ALDH1A1
SCHEMBL19602412 0.84 MMP9 (0.46) MMP9MMP8ALDH1A1MAPTL3MBTL1
SCHEMBL21581228 0.83 MMP9 (0.49) MMP9MMP8ALDH1A1MAPTL3MBTL1
SCHEMBL1774283 0.82 MMP9 (0.47) MMP9MMP8TRPM8MMP1ALDH1A1
SCHEMBL1774282 0.82 MMP9 (0.47) MMP9MMP8TRPM8MMP1ALDH1A1
SCHEMBL1630380 0.81 MMP9 (0.46) MMP9MMP8TRPM8MMP1ALDH1A1
SCHEMBL1630378 0.81 MMP9 (0.46) MMP9MMP8TRPM8MMP1ALDH1A1

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-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 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-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 MMP9 3011/4885MMP8 3313/4885TRPM8 4371/4885

“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.