SCHEMBL7611313

SCHEMBL7611313

CCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)CNS(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 7/20 0.49
▸ HDAC6 Q9UBN7 5/20 0.49
▸ HDAC4 P56524 4/20 0.49
▸ CASP1 P29466 2/20 0.49
▸ CTSL P07711 2/20 0.46
▸ CTSS P25774 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CTSK P43235 1/20 0.45
▸ TGM2 P21980 3/20 0.43
▸ CTSB P07858 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ITGB3 P05106 1/20 0.42
▸ ITGAV P06756 1/20 0.42
▸ PKLR P30613 1/20 0.42

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
SCHEMBL7164468 0.90 CTSK (0.52) CASP1CTSLCTSSCTSKCTSB
SCHEMBL7175172 0.76 CTSK (0.53) CTSSSMN1; SMN2CTSKCTSBKDM4E
SCHEMBL7167328 0.76 CTSK (0.56) CTSLCTSSSMN1; SMN2CTSKCTSB
SCHEMBL7164688 0.75 CTSK (0.55) HDAC1HDAC6HDAC4CTSLCTSS
SCHEMBL5935127 0.75 CTSK (0.77) CTSLCTSSCTSKCTSB
SCHEMBL7163217 0.75 CTSK (0.56) CTSLCTSSCTSKCTSB
SCHEMBL7160519 0.75 CTSK (0.63) CTSLCTSSCTSKCTSB
SCHEMBL7468069 0.74 PPARG (0.64) SMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL7456009 0.74 CTSL (0.47) HDAC1CTSLCTSSSMN1; SMN2CTSK
SCHEMBL7163444 0.70 CA1 (0.61) CASP1CTSLCTSSCTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 — — 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 (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-20020065230-A1 Protease inhibitors PRSS1, DNPEP, CTSZ HDAC1 660/4885HDAC6 1947/4885HDAC4 1161/4885

“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.

Send feedback