SCHEMBL5440964

SCHEMBL5440964

COc1ccc(NS(=O)(=O)CC(N)CCCCNC(=O)OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
ANPEP P15144 1/20 0.48
DPP8 Q6V1X1 2/20 0.48
DPP7 Q9UHL4 2/20 0.48
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
ACHE P22303 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
CTSL P07711 1/20 0.45

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
Hydrochloric Acid SCHEMBL6407503 0.99 CA1 (0.49) CA1CA2ANPEPDPP8DPP7
SCHEMBL5440961 0.89 HTT (0.47) CA1CA2ANPEPDPP8DPP7
SCHEMBL14565758 0.85 CA1 (0.45) CA1CA2ANPEPDPP8DPP7
SCHEMBL6406656 0.83 MAPT (0.54) CA1CA2MMP2MMP9HDAC1
SCHEMBL6401410 0.82 CA1 (0.54) CA1CA2ACHECTSLCTSS
SCHEMBL6558786 0.80 KEAP1 (0.50) CA1CA2MMP2MMP9ACHE
SCHEMBL5440859 0.78 ALDH1A1 (0.51) CA1CA2MMP2MMP9HTT
Hydrochloric Acid SCHEMBL5439997 0.77 ALDH1A1 (0.50) CA1CA2MMP2MMP9HTT
SCHEMBL10706890 0.76 DPP8 (0.54) CA1CA2ANPEPDPP8DPP7
SCHEMBL27784040 0.76 DPP8 (0.59) ANPEPDPP8DPP7DPP4DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-14 US claimed
US-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. 2004-09-30 US claimed
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-14 US disclosed
US-7196099-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-27 US disclosed
US-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. 2004-09-30 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 (2 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-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CA1 338/4885CA2 207/4885ANPEP 40/4885
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE CA1 338/4885CA2 207/4885ANPEP 40/4885

“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.