SCHEMBL4907429

SCHEMBL4907429

Cc1ccc(-c2csc(Cl)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.56
NPC1 O15118 5/20 0.56
KDM4E B2RXH2 4/20 0.56
SREBF2 Q12772 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LTA4H P09960 1/20 0.53
MAPT P10636 5/20 0.51
GFER P55789 1/20 0.51
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.50
NOTUM Q6P988 1/20 0.50
MAOA P21397 4/20 0.49
MAOB P27338 3/20 0.49
KDM1A O60341 1/20 0.49
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
AR P10275 1/20 0.47
ALOX5 P09917 1/20 0.47
AMY1A P0DUB6 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL14755578 0.83 CYP19A1 (0.61) RAB9ANPC1KDM4ESMN1; SMN2LTA4H
SCHEMBL21283211 0.80 CYP19A1 (0.45) RAB9ANPC1KDM4ESMN1; SMN2LTA4H
SCHEMBL21283206 0.80 RAB9A (0.63) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL14755554 0.79 CCR4 (0.48) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL5239246 0.79 KDM4E (0.59) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL2615402 0.79 GAA (0.65) RAB9ANPC1KDM4ESREBF2SMN1; SMN2
SCHEMBL956221 0.79 ALDH1A1 (0.61) RAB9ANPC1KDM4ESREBF2SMN1; SMN2
SCHEMBL28522859 0.78 RAB9A (0.73) RAB9ANPC1KDM4ESREBF2SMN1; SMN2
SCHEMBL9454811 0.78 ATP4A (0.56) RAB9ANPC1SMN1; SMN2LTA4HMAPT
SCHEMBL231094 0.78 LTA4H (0.80) RAB9ANPC1KDM4ESREBF2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CATALANO JOHN G 2008-03-06 US disclosed
US-7282512-B2 Cycloalkyl ketoamides derivatives useful as cathepsin K inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-10-16 US disclosed
US-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-03-10 US disclosed
EP-1465862-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-10-13 EP disclosed
WO-2003062192-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-31 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 (2 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-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors CTSK, CTSS, CTSE RAB9A 1828/4885NPC1 504/4885KDM4E 466/4885
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CTSK, CTSS, CTSE RAB9A 1828/4885NPC1 504/4885KDM4E 466/4885

“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.