SCHEMBL18928686

SCHEMBL18928686

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C1(C)OC1CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.51
CTSS P25774 3/20 0.47
CTSK P43235 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
ACE P12821 1/20 0.45
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
XBP1 P17861 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL640483 0.81 CTSS (0.58) ATMCTSSCTSKCTSLCTSB
SCHEMBL28921896 0.78 ATM (0.53) ATMCTSSCTSKCTSLCTSB
SCHEMBL7269676 0.76 ATM (0.54) ATMCTSSCTSKCTSLCTSB
SCHEMBL3803942 0.75 ATM (0.53) ATMCTSSCTSKCTSLCTSB
SCHEMBL9073564 0.73 ATM (0.59) ATMCTSSCTSKCTSLCTSB
SCHEMBL15414493 0.73 ATM (0.50) ATMCTSSCTSKCTSLCTSB
SCHEMBL18928701 0.73 ATM (0.50) ATMCTSSCTSKCTSLCTSB
SCHEMBL8985017 0.73 ATM (0.61) ATMCTSSCTSKCTSLCTSB
SCHEMBL27451641 0.72 ATM (0.49) ATMCTSSCTSKCTSLCTSB
SCHEMBL3676166 0.71 NPC1 (0.63) ATMCTSSCTSKCTSLCTSB

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-20170157262-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO., LTD (CN) 2017-06-08 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-20170157262-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS CD4, CD2, CD47 ATM 2988/4885CTSS 1523/4885CTSK 1843/4885

“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.