SCHEMBL6696462

SCHEMBL6696462

CCCC(NC(=O)C(CS(=O)(=O)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1)C(=O)c1nc2ccccc2s1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
POLB P06746 1/20 0.39
F2 P00734 2/20 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
SCHEMBL6063798 1.00 MAPK1 (0.43) MAPK1L3MBTL1NPC1HPGDRAB9A
SCHEMBL6062841 0.91 MAPK1 (0.44) MAPK1L3MBTL1NPC1HPGDRAB9A
SCHEMBL6689469 0.91 MAPK1 (0.44) MAPK1L3MBTL1NPC1HPGDRAB9A
SCHEMBL6061813 0.84 ALOX15 (0.45) MAPK1L3MBTL1NPC1HPGDRAB9A
SCHEMBL6675832 0.84 ALOX15 (0.45) MAPK1L3MBTL1NPC1HPGDRAB9A
SCHEMBL6655534 0.84 MAPK1 (0.41) MAPK1L3MBTL1NPC1HPGDRAB9A
SCHEMBL6063009 0.84 MAPK1 (0.41) MAPK1L3MBTL1NPC1HPGDRAB9A
SCHEMBL6655538 0.84 MAPK1 (0.41) MAPK1L3MBTL1NPC1HPGDRAB9A
SCHEMBL6678152 0.83 CTSS (0.42)
SCHEMBL6061818 0.83 CTSS (0.42)

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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US claimed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE MAPK1 3715/4885L3MBTL1 4113/4885NPC1 37/4885

“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.