SCHEMBL6765207

SCHEMBL6765207

CC(CC(N)=O)CC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 5/20 0.44
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 2/20 0.41
EPHX2 P34913 1/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSK P43235 1/20 0.40
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL6761962 0.89 POLB (0.46) KMT2AMAPTPKMALDH1A1MEN1
SCHEMBL7434831 0.84 KMT2A (0.48) CYP3A4CYP2C19KMT2AMAPTPKM
SCHEMBL7599077 0.83 HCRTR1 (0.40) MAPTPKMALDH1A1TP53CTSK
SCHEMBL7633224 0.81 CTSK (0.56) CTSK
SCHEMBL4924362 0.81 CTSK (0.56) CTSK
SCHEMBL5093142 0.80 CTSK (0.47) CYP3A4CYP2C19KMT2AMAPTALDH1A1
SCHEMBL5092610 0.80 CTSK (0.40) CTSK
SCHEMBL5099202 0.80 KMT2A (0.43) CYP3A4CYP2C19KMT2AMAPTPKM
SCHEMBL6590970 0.79 CTSK (0.41) MAPTALDH1A1CTSKGAA
SCHEMBL7434825 0.79 KMT2A (0.45) CYP3A4CYP2C19KMT2AMAPTPKM

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-20040002487-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2004-01-01 US disclosed
US-20030144175-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-31 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-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ CYP3A4 604/4885CYP2C19 626/4885KMT2A 2920/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ CYP3A4 604/4885CYP2C19 626/4885KMT2A 2920/4885

“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.