SCHEMBL5843845

SCHEMBL5843845

NCC(=O)Oc1ccccc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
HTT P42858 1/20 0.49
RXRA P19793 1/20 0.49
BRD4 O60885 1/20 0.49
ALPG P10696 1/20 0.49
PTK2B Q14289 1/20 0.49
SGMS2 Q8NHU3 2/20 0.48
LTA4H P09960 1/20 0.48
ATM Q13315 1/20 0.48
LIPE Q05469 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PTGER1 P34995 1/20 0.47
PTGER4 P35408 1/20 0.47
PTGER3 P43115 1/20 0.47
PTGER2 P43116 1/20 0.47

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
SCHEMBL3804975 0.83 NPC1 (0.54) NPC1RXRABRD4ALPGPTK2B
SCHEMBL733739 0.82 ALPG (0.54) NPC1RXRABRD4ALPGPTK2B
SCHEMBL6243850 0.81 CCNB2 (0.49) NPC1RXRABRD4ALPGPTK2B
SCHEMBL5843729 0.80 LTA4H (0.63) LTA4HMAPTL3MBTL1
SCHEMBL1115032 0.79 PTPN1 (0.61) NPC1RXRABRD4ALPGPTK2B
SCHEMBL27461034 0.79 TDP1 (0.52) NPC1HTTRXRABRD4ALPG
SCHEMBL7448412 0.78 ALDH1A1 (0.58) NPC1HTTTDP1MAPTMAPK1
SCHEMBL339812 0.78 MAPT (0.71) RXRABRD4ALPGPTK2BLTA4H
SCHEMBL1800399 0.77 AKR1C3 (0.47) NPC1RXRABRD4ALPGPTK2B
SCHEMBL6562177 0.77 HTT (0.60) NPC1HTTSGMS2MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US disclosed
WO-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed
US-20040198780-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-10-07 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-20040198780-A1 Inhibitors of cathepsin S CTSS, CTSK, CTSE NPC1 333/4885HTT 396/4885RXRA 4851/4885

“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.