SCHEMBL6742707

SCHEMBL6742707

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
GAA P10253 2/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
CASP1 P29466 1/20 0.44
HBB P68871 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RORC P51449 1/20 0.43
POLB P06746 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
P2RY12 Q9H244 1/20 0.41
ABL1 P00519 1/20 0.40

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
SCHEMBL6742151 0.89 STS (0.47) TSHRP2RY12
SCHEMBL6064318 0.86 NAMPT (0.39) MEN1KMT2APOLBP2RY12
SCHEMBL5523224 0.81 ALDH1A1 (0.53) TSHRGAACYP2C19MAPTL3MBTL1
SCHEMBL7659544 0.77 GAA (0.54) TSHRGAACYP2C19MAPTL3MBTL1
SCHEMBL7659537 0.73 CYP2C19 (0.51) TSHRGAACYP2C19MAPTL3MBTL1
SCHEMBL5532238 0.71 GPR119 (0.43) TSHRGAAALDH1A1SMN1; SMN2POLB
SCHEMBL6876876 0.69 NAMPT (0.43) ALDH1A1MEN1KMT2APOLBCYP1A2
SCHEMBL5523231 0.67 ALDH1A1 (0.56) TSHRGAACYP2C19MAPTL3MBTL1
SCHEMBL6742152 0.66 STS (0.50)
SCHEMBL5523222 0.66 NPC1 (0.53) CYP2C19MAPTL3MBTL1ALDH1A1SMN1; SMN2

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 TSHR 3722/4885GAA 24/4885CYP2C19 1383/4885

“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.