SCHEMBL3948770

SCHEMBL3948770

O=C(O)N1C[C@@H](O)C[C@@H]1COCCCOc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PPARD Q03181 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
DPP4 P27487 1/20 0.37
PKM P14618 1/20 0.37
EPHX2 P34913 1/20 0.37
LTA4H P09960 1/20 0.37
TEAD1 P28347 1/20 0.37
TEAD3 Q99594 1/20 0.37
KCNA3 P22001 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CHRM3 P20309 1/20 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
SCHEMBL4303403 0.89 HPGD (0.41) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL3945694 0.87 NR1D1 (0.41) TDP1
SCHEMBL6974057 0.87 NR1D1 (0.41) TDP1
SCHEMBL13663655 0.85 PDE4B (0.42) NPC1RAB9AHPGD
SCHEMBL13662030 0.82 SMN1; SMN2 (0.43) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL4299002 0.81 HPGD (0.38) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL22555190 0.79 AGTR2 (0.46) ALDH1A1
SCHEMBL6975692 0.79 AGTR2 (0.46) ALDH1A1
SCHEMBL4297034 0.79 AGTR2 (0.46) ALDH1A1
SCHEMBL4297705 0.78 NPC1 (0.40) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1

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-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-10-22 US disclosed
WO-2009026197-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-02-26 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-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE CTSB, CTSS, CTSF NPC1 111/4885RAB9A 323/4885HPGD 3107/4885

“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.