SCHEMBL4185639

SCHEMBL4185639

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nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.39
ABCB1 P08183 4/20 0.38
TRPA1 O75762 1/20 0.36
CTSS P25774 3/20 0.35
CTSK P43235 3/20 0.35
CTSL P07711 1/20 0.34
CNR2 P34972 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
CTSA P10619 1/20 0.33
ADAM17 P78536 1/20 0.33
ATR Q13535 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL7466599 0.85 ABCB1 (0.50) METAP1ABCB1TRPA1CNR2PPARG
SCHEMBL8220279 0.81 METAP1 (0.43) METAP1ABCB1TRPA1CTSSCTSK
SCHEMBL3055857 0.80 ALOX12 (0.45) METAP1ABCB1TRPA1TSHRHSD17B10
SCHEMBL15676168 0.79 METAP1 (0.40) METAP1ABCB1TRPA1CTSSCTSK
SCHEMBL9593998 0.79 METAP1 (0.42) METAP1ABCB1TRPA1CTSSCTSK
SCHEMBL4181986 0.79 TRPA1 (0.39) TRPA1CTSSCTSKCTSLPPARG
SCHEMBL6441702 0.76 CTSK (0.46) CTSSCTSKCTSLPPARGPPARA
SCHEMBL6577311 0.76 CA1 (0.40) METAP1ABCB1CTSSCTSKCTSL
SCHEMBL4181570 0.75 TSHR (0.39) TRPA1CTSSCTSKATRTSHR
SCHEMBL4179051 0.74 PPARA (0.40) TRPA1CTSSCTSKCTSLPPARG

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-20090186868-A1 Taxane Compound Having Azetidine Ring Structure DAIICHI SANKYO COMPANY LIMITED (JP) 2009-07-23 US disclosed
EP-1942109-A1 TAXANE COMPOUND WITH AZETIDINE RING STRUCTURE Daiichi Sankyo Company, Limited (JP) 2008-07-09 EP 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-20090186868-A1 Taxane Compound Having Azetidine Ring Structure ABCC1, AZI2, TPD52L2 METAP1 4550/4885ABCB1 48/4885TRPA1 3951/4885

“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.