SCHEMBL3869252

SCHEMBL3869252

CC[C@H](NC(=O)[C@@H](N)CC(C)(F)F)C(=O)c1nc(-c2ccccc2)no1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HDAC4 P56524 2/20 0.40
HDAC6 Q9UBN7 1/20 0.38
S1PR1 P21453 1/20 0.38
TSHR P16473 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
CARM1 Q86X55 1/20 0.37
TPH1 P17752 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL6288673 0.90 HDAC4 (0.40) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL3870371 0.82 HDAC1 (0.44) KDM4EHDAC4HDAC6S1PR1PKM
SCHEMBL5398714 0.80 CTSB (0.39) GAATSHRBCHEACHEPOLB
SCHEMBL13937556 0.80 CTSS (0.45) HDAC4HDAC6
SCHEMBL5394166 0.80 TDP1 (0.38) TSHRBCHEACHEPOLBLMNA
SCHEMBL3871951 0.79 HSD11B1 (0.32)
SCHEMBL3877761 0.79 CTSS (0.49)
SCHEMBL5422942 0.78 TPH1 (0.47) KDM4EGAAPOLBTPH1
SCHEMBL5422949 0.78 TPH1 (0.47) KDM4EGAAPOLBTPH1
SCHEMBL5384676 0.78 ALDH1A1 (0.39) BCHEACHEPOLB

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-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
EP-1682524-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2006-07-26 EP disclosed
WO-2005040142-A9 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMA INC (US) 2005-06-09 WO disclosed
WO-2005040142-A1 NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2005-05-06 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 KDM4E 3669/4885GAA 20/4885HDAC4 925/4885

“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.