SCHEMBL13637446

SCHEMBL13637446

NC(CCO)Cc1ccc(-c2cn(CCO)c(C(=O)O)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
ANPEP P15144 2/20 0.35
ENPEP Q07075 2/20 0.35
TLR8 Q9NR97 3/20 0.34
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
DPP4 P27487 2/20 0.32
DHODH Q02127 1/20 0.32
PTPN1 P18031 1/20 0.31

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
SCHEMBL2617438 0.85 TLR8 (0.36) NPC1TLR8CASP3SENP8SENP7
SCHEMBL2617442 0.85 TLR8 (0.36) NPC1TLR8CASP3SENP8SENP7
SCHEMBL2617426 0.80 DPP4 (0.35) NPC1TLR8DPP4DHODH
SCHEMBL13644408 0.77 NPC1 (0.36) NPC1TLR8CASP3SENP8SENP7
SCHEMBL13643252 0.74 DHODH (0.38) CASP3SENP8SENP7SENP6DHODH
SCHEMBL13643259 0.72 SPNS2 (0.36) NPC1TLR8
SCHEMBL2617249 0.71 SPNS2 (0.33) DPP4
SCHEMBL2617361 0.71 SPNS2 (0.35) NPC1TLR8
SCHEMBL2617445 0.71 SPNS2 (0.35) NPC1TLR8
SCHEMBL13637086 0.70 CENPE (0.36) NPC1TLR8CASP3SENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. 2009-11-19 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-20090286841-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS KIF5B, KIF2C, PLK1 NPC1 835/4885ANPEP 4562/4885ENPEP 3852/4885

“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.