SCHEMBL7049540

SCHEMBL7049540

CC(C)(C)OC(=O)N(CCS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(O)c1nc2ccccc2o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
XBP1 P17861 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.37
ATM Q13315 1/20 0.37
JAK2 O60674 1/20 0.36
S1PR4 O95977 1/20 0.36
HSP90AA1 P07900 1/20 0.36
THRB P10828 1/20 0.36
PTPN1 P18031 13/20 0.36

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
SCHEMBL6465390 0.90 ALDH1A1 (0.41) ALDH1A1PTPN1PTPN2PPARG
SCHEMBL6467283 0.85 MEN1 (0.38) ALDH1A1LMNAHPGDXBP1HTT
SCHEMBL5731226 0.81 CTSK (0.46) ALDH1A1LMNAHPGDXBP1HTT
SCHEMBL5731227 0.81 CTSK (0.46) ALDH1A1LMNAHPGDXBP1HTT
SCHEMBL6463254 0.80 CTSS (0.34) ALDH1A1LMNAHPGDXBP1HTT
SCHEMBL7189147 0.80 CTSS (0.34) ALDH1A1LMNAHPGDXBP1HTT
SCHEMBL7049041 0.79 ATM (0.38) MAPTATMPPARG
SCHEMBL6466197 0.78 FAAH (0.36) LMNAHTTSMN1; SMN2PTPN1PTPN2
SCHEMBL7466136 0.78 FAAH (0.36) LMNAHTTSMN1; SMN2PTPN1PTPN2
SCHEMBL6467033 0.77 FAAH (0.36) LMNAHPGDHTTSMN1; SMN2PTPN1

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
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ ALDH1A1 3027/4885LMNA 1755/4885HPGD 536/4885

“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.