SCHEMBL3870461

SCHEMBL3870461

NC(=O)C[C@H](NC(=O)[CH]CC(F)(F)Cc1ccccc1)C(=O)c1ncco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
FAAH O00519 7/20 0.38
CES1 P23141 4/20 0.38
NCEH1 Q6PIU2 1/20 0.38
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
HDAC3 O15379 6/20 0.33
HDAC4 P56524 6/20 0.33
HDAC1 Q13547 6/20 0.33
HDAC7 Q8WUI4 6/20 0.33
HDAC2 Q92769 6/20 0.33
HDAC10 Q969S8 6/20 0.33
HDAC11 Q96DB2 6/20 0.33
HDAC8 Q9BY41 6/20 0.33
HDAC6 Q9UBN7 6/20 0.33
HDAC9 Q9UKV0 6/20 0.33
HDAC5 Q9UQL6 6/20 0.33

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
SCHEMBL3869386 0.81 CTSS (0.35) ALDH1A1RAB9A
SCHEMBL3872602 0.79 LIPG (0.32) ALDH1A1RAB9AHDAC3HDAC1HDAC6
SCHEMBL3871936 0.79 CNR2 (0.33) ALDH1A1RAB9A
SCHEMBL3871979 0.79 FAAH (0.45) FAAHCES1RAB9A
SCHEMBL3874379 0.76 PRSS1 (0.33) ALDH1A1RAB9AHDAC4HDAC1HDAC7
SCHEMBL3873933 0.75 SMYD3 (0.36) FAAHALDH1A1RAB9A
SCHEMBL3870467 0.73 MMP1 (0.43) MMP1MMP2MMP3MMP7FAAH
SCHEMBL3870014 0.73 FAAH (0.40) FAAHCES1HDAC3HDAC4HDAC1
SCHEMBL3969450 0.71 DCAF1 (0.35) HDAC1HDAC8HDAC6
SCHEMBL6207048 0.66 CYP2C19 (0.48) FAAHCES1NCEH1HDAC3HDAC4

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-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

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 MMP1 683/4885MMP2 139/4885MMP3 181/4885

“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.