SCHEMBL6415412

SCHEMBL6415412

CCC(NC(=O)C1(CNC(=O)OC(C)(C)C)CCCCC1)C(O)c1nc2ccccc2o1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SYK P43405 1/20 0.35
ACACB O00763 7/20 0.34
SMO Q99835 1/20 0.34
ACACA Q13085 4/20 0.33
CTSK P43235 1/20 0.33
BCHE P06276 1/20 0.33
KLK5 Q9Y337 1/20 0.33
PTPN2 P17706 3/20 0.33
PTPN1 P18031 3/20 0.33
MAPT P10636 1/20 0.33
CETP P11597 1/20 0.33

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
SCHEMBL5412012 0.83 RAB9A (0.41) NPC1TP53RAB9ASMN1; SMN2CTSK
SCHEMBL5421407 0.83 RAB9A (0.41) NPC1TP53RAB9ASMN1; SMN2CTSK
SCHEMBL5513715 0.83 RAB9A (0.41) NPC1TP53RAB9ASMN1; SMN2CTSK
SCHEMBL6415401 0.78 REN (0.42) SMN1; SMN2MAPT
SCHEMBL7559455 0.76 DGAT1 (0.40) TP53RAB9ACTSKPTPN2PTPN1
SCHEMBL5736600 0.76 NPC1 (0.42) NPC1TP53RAB9ASMN1; SMN2CTSK
SCHEMBL5736602 0.76 NPC1 (0.42) NPC1TP53RAB9ASMN1; SMN2CTSK
SCHEMBL5729158 0.74 CTSK (0.43) NPC1TP53RAB9ASMN1; SMN2CTSK
SCHEMBL5729161 0.74 CTSK (0.43) NPC1TP53RAB9ASMN1; SMN2CTSK
SCHEMBL5947390 0.74 RAB9A (0.40) NPC1TP53RAB9ASMN1; SMN2KLK5

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-20050288336-A1 Cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-12-29 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-20050288336-A1 Cysteine protease inhibitors CTSF, CTSS, CTSB NPC1 246/4885TP53 807/4885RAB9A 1046/4885

“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.