SCHEMBL21366071

SCHEMBL21366071

CC(C)C(NC(=O)OC(C)(C)C)C(O)O

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.65
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA7 P43166 2/20 0.53
CTSK P43235 9/20 0.45
CTSS P25774 4/20 0.45
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
PREP P48147 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPA1 O75762 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA4 P22748 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL21729501 1.00 CYP2D6 (0.65) CYP2D6CA1CA2CA7CTSK
SCHEMBL14443276 0.90 CYP2D6 (0.66) CYP2D6CA1CA2CA7CTSK
SCHEMBL20130443 0.88 CYP2D6 (0.56) CYP2D6CA1CA2CA7CTSK
SCHEMBL14846775 0.88 CYP2D6 (0.65) CYP2D6CA1CA2CA7CTSK
SCHEMBL1134617 0.85 CYP2D6 (0.61) CYP2D6CA1CA2CA7CTSK
SCHEMBL25056024 0.83 CYP2D6 (0.51) CYP2D6CA1CA2CA7CTSK
SCHEMBL12516687 0.83 CYP2D6 (0.59) CYP2D6CA1CA2CA7CTSK
SCHEMBL2229654 0.83 CYP2D6 (0.59) CYP2D6CA1CA2CA7CTSK
SCHEMBL22649470 0.83 CYP2D6 (0.51) CYP2D6CA1CA2CA7CTSK
SCHEMBL4182333 0.83 CYP2D6 (0.59) CYP2D6CA1CA2CA7CTSK

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
EP-3838913-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREFOR MabPlex International Co., Ltd. (CN) 2021-06-23 EP disclosed
US-20190284149-A1 ARYL HYDROCARBON RECEPTOR MODULATOR ARIAGEN, INC. (US) 2019-09-19 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-20190284149-A1 ARYL HYDROCARBON RECEPTOR MODULATOR AHR, ARNT, NR1H4 CYP2D6 280/4885CA1 3103/4885CA2 1771/4885

“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.