SCHEMBL17106926

SCHEMBL17106926

COc1ccc(CC(NC(=O)C2(NC(=O)OCc3ccccc3)CC2)C(=O)OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.56
TSHR P16473 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.56
ATM Q13315 3/20 0.52
HDAC8 Q9BY41 1/20 0.51
CTSL P07711 2/20 0.50
CTSS P25774 2/20 0.50
CTSK P43235 1/20 0.50
CTSB P07858 1/20 0.50
ALOX15 P16050 1/20 0.50
PPARG P37231 1/20 0.49
F2 P00734 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL16464284 1.00 CYP3A4 (0.56) CYP3A4TSHRALDH1A1MEN1MAPT
SCHEMBL17106905 0.95 ATM (0.54) CYP3A4TSHRALDH1A1MEN1MAPT
SCHEMBL16463321 0.95 ATM (0.54) CYP3A4TSHRALDH1A1MEN1MAPT
SCHEMBL17106960 0.88 CACNA1B (0.50) CYP3A4TSHRALDH1A1MEN1MAPT
SCHEMBL16462455 0.88 CACNA1B (0.50) CYP3A4TSHRALDH1A1MEN1MAPT
SCHEMBL2406036 0.86 ALDH1A1 (0.65) CYP3A4TSHRALDH1A1MEN1MAPT
SCHEMBL8569421 0.86 ALDH1A1 (0.65) CYP3A4TSHRALDH1A1MEN1MAPT
SCHEMBL17106914 0.85 CAPN1 (0.51) HDAC8CTSLCTSSCTSKCTSB
SCHEMBL17106929 0.84 CTSD (0.54) TSHRATMHDAC8CTSLCTSS
SCHEMBL17106928 0.84 CTSD (0.54) TSHRATMHDAC8CTSLCTSS

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-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS HOFFMANN-LA ROCHE INC. 2015-10-01 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-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS PSMB7, PSMB5, PSMC2 CYP3A4 1751/4885TSHR 2805/4885ALDH1A1 2184/4885

“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.