SCHEMBL3874168

SCHEMBL3874168

CCC(NC(=O)OC(C)(C)C)[C@H](O)c1ncc(-c2cccs2)o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.48
CTSS P25774 2/20 0.48
CTSL P07711 1/20 0.48
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
ELANE P08246 1/20 0.37
FAAH O00519 1/20 0.36
CES1 P23141 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRA6 Q16445 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 3/20 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
SCHEMBL3874167 1.00 CTSK (0.48) CTSKCTSSCTSLRAB9ASMN1; SMN2
SCHEMBL14427083 0.81 FFAR1 (0.47) CTSKCTSSCTSLRAB9ASMN1; SMN2
SCHEMBL3877239 0.77 LMNA (0.33) CTSKALDH1A1LMNAHPGDTSHR
SCHEMBL3877243 0.77 LMNA (0.33) CTSKALDH1A1LMNAHPGDTSHR
SCHEMBL8291559 0.74 FAAH (0.38) RAB9ASMN1; SMN2NPC1FAAHCES1
SCHEMBL5412012 0.71 RAB9A (0.41) CTSKCTSSRAB9ASMN1; SMN2NPC1
SCHEMBL5513715 0.71 RAB9A (0.41) CTSKCTSSRAB9ASMN1; SMN2NPC1
SCHEMBL5421407 0.71 RAB9A (0.41) CTSKCTSSRAB9ASMN1; SMN2NPC1
SCHEMBL5955823 0.71 CA1 (0.40) CTSKCTSSALDH1A1LMNAHPGD
SCHEMBL6577311 0.71 CA1 (0.40) CTSKCTSSCTSLHTTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482448-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2009-01-27 US disclosed
US-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-08-24 US disclosed
WO-2005040142-A9 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMA INC (US) 2005-06-09 WO 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-20060189657-A1 Novel compounds and compositions as cathepsin inhibitors CTSB, CTSS, CTSK CTSK 3/4885CTSS 2/4885CTSL 8/4885

“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.