SCHEMBL17106960

SCHEMBL17106960

COc1ccc(CC(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.50
KLK5 Q9Y337 1/20 0.48
YAP1 P46937 1/20 0.47
MAPT P10636 3/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
ATM Q13315 1/20 0.44
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 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
SCHEMBL16462455 1.00 CACNA1B (0.50) CACNA1BKLK5YAP1MAPTCYP3A4
SCHEMBL16464284 0.88 CYP3A4 (0.56) MAPTCYP3A4TSHRALDH1A1MEN1
SCHEMBL17106926 0.88 CYP3A4 (0.56) MAPTCYP3A4TSHRALDH1A1MEN1
SCHEMBL9240969 0.87 CACNA1B (0.60) CACNA1BKLK5HDAC8ATMCTSL
SCHEMBL6438287 0.87 CACNA1B (0.60) CACNA1BKLK5HDAC8ATMCTSL
SCHEMBL7292396 0.87 CACNA1B (0.60) CACNA1BKLK5HDAC8ATMCTSL
SCHEMBL17106905 0.85 ATM (0.54) MAPTCYP3A4TSHRALDH1A1MEN1
SCHEMBL16463321 0.85 ATM (0.54) MAPTCYP3A4TSHRALDH1A1MEN1
SCHEMBL8063643 0.85 HTRA1 (0.46) CACNA1BKLK5ALDH1A1CTSLCTSS
SCHEMBL15654438 0.84 KLK5 (0.53) CACNA1BKLK5MAPTMEN1KMT2A

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 CACNA1B 2869/4885KLK5 154/4885YAP1 4818/4885

“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.