SCHEMBL5418360

SCHEMBL5418360

[CH2]C(=O)c1cc2ccccc2s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.69
HDAC1 Q13547 2/20 0.65
HDAC3 O15379 1/20 0.65
HDAC4 P56524 1/20 0.65
HDAC7 Q8WUI4 1/20 0.65
HDAC2 Q92769 1/20 0.65
HDAC10 Q969S8 1/20 0.65
HDAC11 Q96DB2 1/20 0.65
HDAC8 Q9BY41 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
HDAC9 Q9UKV0 1/20 0.65
HDAC5 Q9UQL6 1/20 0.65
SLC9A1 P19634 2/20 0.57
CNR1 P21554 1/20 0.56
CNR2 P34972 1/20 0.56
DYRK1A Q13627 1/20 0.56
HRH4 Q9H3N8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TMIGD3 P0DMS9 1/20 0.50
ADORA1 P30542 1/20 0.50

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
SCHEMBL6321234 0.83 BCL2L1 (0.74) BCL2L1HDAC1HDAC3HDAC4HDAC7
SCHEMBL31356465 0.83 BCL2L1 (0.74) BCL2L1HDAC1HDAC3HDAC4HDAC7
SCHEMBL7209477 0.83 BCL2L1 (0.74) BCL2L1HDAC1HDAC3HDAC4HDAC7
SCHEMBL93858 0.82 BCL2L1 (1.00) BCL2L1HDAC1HDAC3HDAC4HDAC7
SCHEMBL5355955 0.82 BCL2L1 (0.71) BCL2L1HDAC1HDAC3HDAC4HDAC7
SCHEMBL29438783 0.82 BCL2L1 (1.00) BCL2L1HDAC1HDAC3HDAC4HDAC7
SCHEMBL103529 0.80 BCL2L1 (0.69) BCL2L1HDAC1HDAC3HDAC4HDAC7
SCHEMBL6407980 0.80 BCL2L1 (0.69) BCL2L1HDAC1HDAC3HDAC4HDAC7
SCHEMBL826496 0.80 BCL2L1 (0.69) BCL2L1HDAC1HDAC3HDAC4HDAC7
SCHEMBL16599119 0.80 BCL2L1 (0.69) BCL2L1HDAC1HDAC3HDAC4HDAC7

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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US claimed
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 EP claimed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 WO claimed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US disclosed
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 EP disclosed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE BCL2L1 444/4885HDAC1 284/4885HDAC3 251/4885

“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.