SCHEMBL4044496

SCHEMBL4044496

CCC(C)C(N)C(=O)N1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)c1ccc(-c2ccccc2)s1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.53
HPGDS O60760 2/20 0.43
DPP8 Q6V1X1 3/20 0.40
DPP4 P27487 3/20 0.40
DPP9 Q86TI2 2/20 0.40
FAP Q12884 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
CTSS P25774 2/20 0.39
CTSB P07858 1/20 0.38
CHRNA7 P36544 5/20 0.37
HTR3E A5X5Y0 4/20 0.37
HTR3B O95264 4/20 0.37
HTR3A P46098 4/20 0.37
HTR3D Q70Z44 4/20 0.37
HTR3C Q8WXA8 4/20 0.37

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
SCHEMBL4045241 0.93 CTSK (0.55) CTSKHPGDSCTSSCTSBCHRNA7
SCHEMBL4048243 0.92 CTSK (0.53) CTSKHPGDSCTSSCTSBCHRNA7
SCHEMBL4041554 0.92 CTSK (0.55) CTSKHPGDSCTSSCTSBCHRNA7
SCHEMBL4039384 0.90 CTSK (0.56) CTSKHPGDSCTSSCTSBCHRNA7
SCHEMBL4042641 0.90 CTSK (0.51) CTSKHPGDSCTSSCTSBCHRNA7
SCHEMBL4046704 0.90 CTSK (0.53) CTSKHPGDSCTSSCTSBCHRNA7
SCHEMBL4043326 0.90 CTSK (0.54) CTSKHPGDSCTSSCTSBCHRNA7
SCHEMBL4042777 0.90 CTSK (0.57) CTSKHPGDSCTSSCTSBCHRNA7
SCHEMBL4043610 0.89 CTSK (0.53) CTSKHPGDSCTSSCTSBCHRNA7
SCHEMBL4040231 0.89 CTSK (0.56) CTSKHPGDSCTSSCTSBCHRNA7

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
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885HPGDS 603/4885DPP8 947/4885

“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.