SCHEMBL5869841

SCHEMBL5869841

COC(=O)C(CNC(=O)c1ccc(-c2ccccc2)cc1)NC(CC(C)C)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CTSB P07858 3/20 0.52
F10 P00742 1/20 0.48
PRSS1 P07477 1/20 0.48
TAS1R3 Q7RTX0 4/20 0.48
TAS1R1 Q7RTX1 4/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.47
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
ANPEP P15144 1/20 0.46
HPGDS O60760 1/20 0.46
CYP26A1 O43174 1/20 0.45

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
SCHEMBL8437318 1.00 RAB9A (0.54) RAB9ANPC1SMN1; SMN2CTSBF10
SCHEMBL5869817 0.88 NPC1 (0.66) RAB9ANPC1SMN1; SMN2CTSBTAS1R3
SCHEMBL5869828 0.88 NPC1 (0.66) RAB9ANPC1SMN1; SMN2CTSBTAS1R3
SCHEMBL5869823 0.88 NPC1 (0.66) RAB9ANPC1SMN1; SMN2CTSBTAS1R3
SCHEMBL8256665 0.86 NPC1 (0.58) RAB9ANPC1SMN1; SMN2CTSBCTSL
SCHEMBL5869432 0.86 NPC1 (0.58) RAB9ANPC1SMN1; SMN2CTSBCTSL
SCHEMBL18082335 0.79 NPC1 (0.71) RAB9ANPC1SMN1; SMN2CTSB
SCHEMBL5869108 0.76 NPC1 (0.71) RAB9ANPC1SMN1; SMN2CTSB
SCHEMBL5869095 0.76 NPC1 (0.71) RAB9ANPC1SMN1; SMN2CTSB
SCHEMBL5869102 0.76 NPC1 (0.71) RAB9ANPC1SMN1; SMN2CTSB

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-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 RAB9A 2897/4885NPC1 2323/4885SMN1; SMN2 3028/4885

“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.