SCHEMBL5870531

SCHEMBL5870531

CC(C)C[C@H](CC(=O)N1CCc2ccccc2C1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.57
DPP7 Q9UHL4 1/20 0.57
TAAR1 Q96RJ0 2/20 0.56
POLB P06746 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
NLRP3 Q96P20 1/20 0.53
ACE P12821 2/20 0.52
NOTUM Q6P988 2/20 0.51
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49

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
SCHEMBL5870235 1.00 DPP8 (0.57) DPP8DPP7TAAR1POLBL3MBTL1
SCHEMBL5870417 0.91 NOTUM (0.45) DPP8DPP7TAAR1POLBL3MBTL1
SCHEMBL5870438 0.86 DPP8 (0.54) DPP8DPP7TAAR1POLBL3MBTL1
SCHEMBL8244656 0.85 DPP8 (0.68) DPP8DPP7TAAR1POLBL3MBTL1
SCHEMBL3103829 0.82 DPP8 (0.68) DPP8DPP7TAAR1POLBL3MBTL1
SCHEMBL9138110 0.81 DPP8 (0.66) DPP8DPP7TAAR1POLBL3MBTL1
SCHEMBL4221598 0.76 CTSK (0.54) DPP8DPP7TAAR1POLBL3MBTL1
SCHEMBL4452845 0.76 CTSK (0.47) DPP8DPP7TAAR1POLBL3MBTL1
SCHEMBL8610388 0.76 ABHD6 (0.56) TAAR1KDM4EMEN1KMT2ANLRP3
SCHEMBL8654245 0.75 GRM7 (0.58) POLBKDM4EMEN1KMT2ANOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132449-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2006-11-07 US disclosed
US-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPUTICS LIMITED (GB) 2004-07-01 US disclosed
EP-1358174-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 EP disclosed
WO-2002057248-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 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-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 DPP8 572/4885DPP7 273/4885TAAR1 3330/4885

“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.