Sugi Predict

Sugi Predict / Compounds / SCHEMBL6631409

SCHEMBL6631409

SCHEMBL6631409

CCCC(NC(=O)[C@H](CS(=O)(=O)Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)c1nc2ccccc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.43
▸ HDAC4 P56524 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC7 Q8WUI4 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC10 Q969S8 2/20 0.43
▸ HDAC11 Q96DB2 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC9 Q9UKV0 2/20 0.43
▸ HDAC5 Q9UQL6 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ BACE1 P56817 3/20 0.40
▸ PTPRB P23467 1/20 0.40
▸ REN P00797 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ LIPC P11150 1/20 0.38

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
SCHEMBL6631410 1.00 HDAC3 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6630486 0.86 MAPK1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6063220 0.86 MAPK1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6630489 0.86 MAPK1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6631414 0.85 LIPC (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6630401 0.83 MAPK1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6630163 0.83 MAPK1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6630407 0.83 MAPK1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6630490 0.83 MAPT (0.42) L3MBTL1MEN1KMT2ABACE1REN
SCHEMBL6630492 0.83 MAPT (0.42) L3MBTL1MEN1KMT2ABACE1REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 — — US claimed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 — — EP claimed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 — — WO claimed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 — — US disclosed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 — — EP disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 — — 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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE HDAC3 251/4885HDAC4 704/4885HDAC1 284/4885

“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.