SCHEMBL12406830

SCHEMBL12406830

CC[C@H](NCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
CTSK P43235 1/20 0.48
POLB P06746 2/20 0.48
ITGA4 P13612 1/20 0.47
ITGB7 P26010 1/20 0.47
TACR1 P25103 1/20 0.46
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL13936584 1.00 ALDH1A1 (0.50) ALDH1A1TRPM8CTSKPOLBITGA4
SCHEMBL2135267 0.89 ALDH1A1 (0.51) ALDH1A1TRPM8CTSKPOLBTACR1
SCHEMBL2135261 0.89 ALDH1A1 (0.51) ALDH1A1TRPM8CTSKPOLBTACR1
SCHEMBL2137673 0.89 ALDH1A1 (0.51) ALDH1A1TRPM8CTSKPOLBTACR1
SCHEMBL419013 0.87 ATM (0.56) ALDH1A1TRPM8POLBKMT2AL3MBTL1
SCHEMBL1508826 0.87 ATM (0.56) ALDH1A1TRPM8POLBKMT2AL3MBTL1
SCHEMBL7907847 0.87 ATM (0.56) ALDH1A1TRPM8POLBKMT2AL3MBTL1
SCHEMBL1799032 0.86 ITGA4 (0.48) ALDH1A1TRPM8POLBITGA4ITGB7
SCHEMBL4169003 0.86 ITGA4 (0.60) ALDH1A1TRPM8CTSKPOLBITGA4
SCHEMBL20394533 0.86 ITGA4 (0.60) ALDH1A1TRPM8CTSKPOLBITGA4

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-7973041-B2 Antiarthritic agents; psoriasis; anticancer agents;antiallergens; metalloprotease inhibitors. INCYTE CORPORATION (US) 2011-07-05 US disclosed
US-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases LNCYTE CORPORATION (US) 2008-07-10 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-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases MMP25, MMP9, MMP24 ALDH1A1 415/4885TRPM8 2266/4885CTSK 130/4885

“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.