SCHEMBL6742151

SCHEMBL6742151

CC(C)(C)OC(=O)N1CCN(C(=O)NCCC(=O)N[C@@H](C#N)S(=O)(=O)Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.47
GPR119 Q8TDV5 1/20 0.43
P2RX7 Q99572 4/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
P2RY12 Q9H244 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL6742707 0.89 TSHR (0.50) P2RY12TSHR
SCHEMBL6064318 0.88 NAMPT (0.39) KDM4EPKMP2RY12
SCHEMBL5532238 0.82 GPR119 (0.43) STSGPR119P2RX7KEAP1NFE2L2
SCHEMBL6742152 0.78 STS (0.50) STSGPR119P2RX7ACHEKDM4E
SCHEMBL6742147 0.74 CTSS (0.51) STSP2RX7
SCHEMBL15515225 0.72 KDM4E (0.63) STSGPR119KEAP1NFE2L2ACHE
SCHEMBL5523224 0.71 ALDH1A1 (0.53) P2RY12TSHR
SCHEMBL4607093 0.69 TSHR (0.72) STSGPR119PKMTSHR
SCHEMBL5532239 0.69 CTSS (0.46) STSGPR119ACHEKDM4EPKM
SCHEMBL7276597 0.68 POLB (0.65) KDM4E

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-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors AXYS PHARMACEUTICALS, INC. 2004-01-22 US disclosed
US-6492362-B1 Compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS, INC. 2002-12-10 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-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors CTSS, CTSB, CTSE STS 885/4885GPR119 1056/4885P2RX7 2700/4885

“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.