SCHEMBL17384635

SCHEMBL17384635

CC(C)(C)OC(=O)CN(Cc1ccccc1)C(=O)CCCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.48
CTSB P07858 2/20 0.48
CTSS P25774 2/20 0.48
MAPK1 P28482 2/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
AKT1 P31749 2/20 0.44
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
NCOR2 Q9Y618 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43

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
SCHEMBL17384424 0.92 CTSL (0.50) CTSLCTSBCTSSMAPK1NPC1
SCHEMBL19193386 0.88 CTSL (0.46) CTSLCTSBCTSSMAPK1NPC1
SCHEMBL19567156 0.87 CTSL (0.48) CTSLCTSBCTSSMAPK1NPC1
SCHEMBL19567152 0.86 CTSL (0.49) CTSLCTSBCTSSMAPK1NPC1
SCHEMBL19567145 0.84 CTSL (0.55) CTSLCTSBCTSSLMNAAKT1
SCHEMBL20187564 0.83 AKT1 (0.60) CTSLCTSBCTSSNPC1LMNA
SCHEMBL4108739 0.82 LMNA (0.53) MAPK1NPC1LMNAALOX15TSHR
SCHEMBL28379336 0.80 NPC1 (0.45) CTSLCTSBCTSSMAPK1NPC1
SCHEMBL9844474 0.80 MAPK1 (0.60) MAPK1NPC1LMNAALOX15TSHR
SCHEMBL16620311 0.80 ALOX5 (0.46) CTSLCTSBCTSSMAPK1NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9937259-B2 Abiraterone derivatives and non-covalent complexes with albumin ZHUHAI BEIHAI BIOTECH CO., LTD. (CN) 2018-04-10 US disclosed
US-20170216443-A1 ABIRATERONE DERIVATIVES AND NON-COVALENT COMPLEXES WITH ALBUMIN ZHUHAI BEIHAI BIOTECH CO., LTD. (CN) 2017-08-03 US disclosed
US-20170216443-A1 ABIRATERONE DERIVATIVES AND NON-COVALENT COMPLEXES WITH ALBUMIN ZHUHAI BEIHAI BIOTECH CO., LTD. (CN) 2017-08-03 US disclosed
WO-2015200837-A1 ABIRATERONE DERIVATIVES AND NON-COVALENT COMPLEXES WITH ALBUMIN FL THERAPEUTICS LLC (US) 2015-12-30 WO 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-20170216443-A1 ABIRATERONE DERIVATIVES AND NON-COVALENT COMPLEXES WITH ALBUMIN CYP17A1, SHBG, CYP19A1 CTSL 1481/4885CTSB 1589/4885CTSS 967/4885

“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.