SCHEMBL6415401

SCHEMBL6415401

CCC(NC(=O)C(NC(=O)OC(C)(C)C)C1CCCCC1)C(O)c1nc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.42
CTSS P25774 1/20 0.39
AAK1 Q2M2I8 3/20 0.38
CTSL P07711 1/20 0.36
CTSD P07339 1/20 0.36
CTSE P14091 1/20 0.36
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34

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 0.85 RAB9A (0.41) CTSSLMNASMN1; SMN2TSHRHTT
SCHEMBL5513715 0.85 RAB9A (0.41) CTSSLMNASMN1; SMN2TSHRHTT
SCHEMBL5421407 0.85 RAB9A (0.41) CTSSLMNASMN1; SMN2TSHRHTT
SCHEMBL6206025 0.82 MAPT (0.39) RENCTSSAAK1MAPT
SCHEMBL6206918 0.82 METAP2 (0.40) CTSSLMNASMN1; SMN2TSHRHTT
SCHEMBL6206021 0.81 CTSS (0.40) RENCTSSAAK1CTSLLMNA
SCHEMBL6415412 0.78 NPC1 (0.35) SMN1; SMN2MAPT
SCHEMBL5736600 0.78 NPC1 (0.42) CTSSCTSLLMNASMN1; SMN2TSHR
SCHEMBL5736602 0.78 NPC1 (0.42) CTSSCTSLLMNASMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL5946008 0.77 CTSS (0.42) RENCTSSCTSL

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 REN 403/4885CTSS 2/4885AAK1 2131/4885

“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.