SCHEMBL6651144

SCHEMBL6651144

NC(CCc1ccccc1)C(O)c1nccs1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.41
METAP1 P53582 3/20 0.41
PLA2G4A P47712 1/20 0.41
ADAM17 P78536 1/20 0.41
LMNA P02545 1/20 0.40
CES1 P23141 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ANPEP P15144 2/20 0.39
ERAP1 Q9NZ08 2/20 0.39
ERAP2 Q6P179 1/20 0.39
CTSA P10619 2/20 0.38
PDPK1 O15530 1/20 0.37
HPGD P15428 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL6650369 1.00 METAP2 (0.41) METAP2METAP1PLA2G4AADAM17LMNA
SCHEMBL6651146 1.00 METAP2 (0.41) METAP2METAP1PLA2G4AADAM17LMNA
SCHEMBL31341209 0.86 CTSA (0.38) ADAM17SMN1; SMN2L3MBTL1CTSAHPGD
SCHEMBL7269813 0.85 HSPA1A (0.40) ADAM17LMNACTSAPDPK1ALOX5
SCHEMBL7269821 0.85 HSPA1A (0.40) ADAM17LMNACTSAPDPK1ALOX5
SCHEMBL19258127 0.85 HSPA1A (0.40) ADAM17LMNACTSAPDPK1ALOX5
SCHEMBL7269817 0.85 HSPA1A (0.40) ADAM17LMNACTSAPDPK1ALOX5
SCHEMBL7269324 0.85 HSPA1A (0.40) ADAM17LMNACTSAPDPK1ALOX5
SCHEMBL7269816 0.85 HSPA1A (0.40) ADAM17LMNACTSAPDPK1ALOX5
Hydrochloric Acid SCHEMBL31341237 0.85 CTSA (0.37) ADAM17SMN1; SMN2L3MBTL1CTSAHPGD

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 3 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 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 METAP2 863/4885METAP1 625/4885PLA2G4A 1211/4885

“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.