SCHEMBL6696592

SCHEMBL6696592

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
F2 P00734 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MMP1 P03956 1/20 0.40
FCER2 P06734 1/20 0.40
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 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
SCHEMBL6692769 1.00 MAPK1 (0.47) MAPK1L3MBTL1HPGDNPC1RAB9A
SCHEMBL6678568 1.00 MAPK1 (0.47) MAPK1L3MBTL1HPGDNPC1RAB9A
SCHEMBL6633683 1.00 MAPK1 (0.47) MAPK1L3MBTL1HPGDNPC1RAB9A
SCHEMBL6691808 1.00 MAPK1 (0.47) MAPK1L3MBTL1HPGDNPC1RAB9A
SCHEMBL6696836 1.00 MAPK1 (0.47) MAPK1L3MBTL1HPGDNPC1RAB9A
SCHEMBL6629058 1.00 MAPK1 (0.47) MAPK1L3MBTL1HPGDNPC1RAB9A
SCHEMBL6650551 1.00 MAPK1 (0.47) MAPK1L3MBTL1HPGDNPC1RAB9A
SCHEMBL6694652 1.00 MAPK1 (0.47) MAPK1L3MBTL1HPGDNPC1RAB9A
SCHEMBL6062085 0.83 ALOX15 (0.39) ALOX15TSHRCASP1ALDH1A1
SCHEMBL6062091 0.83 ALOX15 (0.39) ALOX15TSHRCASP1ALDH1A1

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-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 4113/4885HPGD 1645/4885

“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.