SCHEMBL3872602

SCHEMBL3872602

NC(=O)CC(NC(=O)[CH]CC(F)(F)Cc1ccccc1)C(=O)c1nnc(C2CC2)o1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.32
TNKS O95271 5/20 0.32
CNR2 P34972 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 2/20 0.31
ALOX15 P16050 2/20 0.31
HTT P42858 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
KMT2A Q03164 1/20 0.31
PARP1 P09874 3/20 0.30
PARP2 Q9UGN5 3/20 0.30
ADCY1 Q08828 1/20 0.30
GAA P10253 1/20 0.30
THRB P10828 1/20 0.30

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 0.84 CTSS (0.35) SMN1; SMN2ALDH1A1LMNATP53RAB9A
SCHEMBL3873933 0.84 SMYD3 (0.36) CNR2ALDH1A1LMNAALOX15RAB9A
SCHEMBL3871936 0.84 CNR2 (0.33) CNR2ALDH1A1RAB9A
SCHEMBL3870461 0.79 MMP1 (0.40) ALDH1A1RAB9AHDAC3HDAC1HDAC6
SCHEMBL3870483 0.77 PDK1 (0.30)
SCHEMBL3871979 0.75 FAAH (0.45) RAB9AMEN1KMT2ACTSSCTSK
SCHEMBL3870025 0.75 PDK1 (0.33) MEN1KMT2ACTSK
SCHEMBL3872609 0.75 LIPG (0.35) LIPGSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL8290655 0.68 CTSS (0.45) CTSSCTSK
SCHEMBL5393841 0.66 CTSS (0.35) SMN1; SMN2ALDH1A1KDM4ELMNATP53

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 LIPG 313/4885TNKS 497/4885CNR2 2909/4885

“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.