SCHEMBL7026740

SCHEMBL7026740

COc1ccc(C(C)(NC(=O)OCc2ccccc2)C(O)C(=O)NCCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
GAA P10253 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
ALDH1A1 P00352 2/20 0.46
PLAAT3 P53816 2/20 0.46
PLAAT5 Q96KN8 2/20 0.46
PLAAT2 Q9NWW9 2/20 0.46
PLAAT4 Q9UL19 2/20 0.46
MAPT P10636 1/20 0.45
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
FPR2 P25090 1/20 0.44
GLA P06280 1/20 0.44
CA2 P00918 2/20 0.43
CA5A P35218 1/20 0.43
PTPN1 P18031 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
SCHEMBL7027911 0.86 ATM (0.53) NPC1RAB9ACTSLCTSSCTSK
SCHEMBL7025642 0.80 NPC1 (0.55) NPC1RAB9AGAATAAR1ALDH1A1
SCHEMBL8737718 0.78 NPC1 (0.72) NPC1RAB9AGAATAAR1PLAAT3
SCHEMBL4910906 0.77 RAB9A (0.53) NPC1RAB9AGAATAAR1CTSL
SCHEMBL16355707 0.74 ESRRG (0.64) NPC1RAB9AGAAMAPTKMT2A
SCHEMBL11714376 0.73 CTSK (0.61) NPC1RAB9AGAATAAR1CTSL
SCHEMBL9221738 0.72 NPC1 (0.54) NPC1RAB9AGAATAAR1CTSL
SCHEMBL16730127 0.72 NPC1 (0.67) NPC1RAB9AGAATAAR1ALDH1A1
SCHEMBL6552601 0.72 NPC1 (0.63) NPC1RAB9AGAATAAR1PLAAT3
SCHEMBL27475998 0.72 KDM4E (0.49) NPC1RAB9ACTSSMAPTKMT2A

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
WO-2002048097-A9 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF PARASITIC INFECTIONS CORVAS INT INC (US) 2003-05-08 WO disclosed
US-20020107266-A1 Compounds, compositions and methods for treatment of parasitic infections DENDREON CORPORATION 2002-08-08 US disclosed
WO-2002048097-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF PARASITIC INFECTIONS CORVAS INTERNATIONAL, INC. (US) 2002-06-20 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-20020107266-A1 Compounds, compositions and methods for treatment of parasitic infections CAT, CTSA, CTRL NPC1 1432/4885RAB9A 1809/4885GAA 72/4885

“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.