SCHEMBL5870003

SCHEMBL5870003

CCc1ccc(C(=O)NCCC(NC(CC(C)C)C(=O)O)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CTSL P07711 2/20 0.46
CTSS P25774 2/20 0.46
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
CA2 P00918 2/20 0.43
CA1 P00915 2/20 0.43
PLK1 P53350 1/20 0.43
TAOK1 Q7L7X3 1/20 0.42
TAOK3 Q9H2K8 1/20 0.42
OPRK1 P41145 1/20 0.41
GRN P28799 1/20 0.41
SORT1 Q99523 1/20 0.41
LMNA P02545 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
FOLH1 Q04609 1/20 0.41

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
SCHEMBL5869996 1.00 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACTSLCTSS
SCHEMBL5869990 1.00 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACTSLCTSS
SCHEMBL5869102 0.86 NPC1 (0.71) SMN1; SMN2NPC1RAB9A
SCHEMBL5869095 0.86 NPC1 (0.71) SMN1; SMN2NPC1RAB9A
SCHEMBL5869108 0.86 NPC1 (0.71) SMN1; SMN2NPC1RAB9A
SCHEMBL5870016 0.85 RAB9A (0.51) SMN1; SMN2NPC1RAB9ACA2CA1
SCHEMBL5870030 0.85 RAB9A (0.51) SMN1; SMN2NPC1RAB9ACA2CA1
SCHEMBL7531798 0.85 RAB9A (0.51) SMN1; SMN2NPC1RAB9ACA2CA1
SCHEMBL5870023 0.85 RAB9A (0.51) SMN1; SMN2NPC1RAB9ACA2CA1
SCHEMBL13360502 0.81 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ATAS1R3TAS1R1

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 SMN1; SMN2 3028/4885NPC1 2323/4885RAB9A 2897/4885

“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.