SCHEMBL4044651

SCHEMBL4044651

CC(C)(C)c1ccc(C(=O)NC(Cc2cccc(O)c2)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)C(=O)c2cccnc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.50
CTSS P25774 2/20 0.39
CTSL P07711 2/20 0.39
ACE P12821 2/20 0.38
F10 P00742 2/20 0.37
MC4R P32245 1/20 0.36
MC3R P41968 1/20 0.36
MC1R Q01726 1/20 0.36
CTSV O60911 1/20 0.36
CTSB P07858 1/20 0.36
PREP P48147 2/20 0.36
FAP Q12884 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
GPR132 Q9UNW8 1/20 0.35
ROCK2 O75116 2/20 0.35
F2 P00734 2/20 0.35

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
SCHEMBL4044111 0.93 CTSK (0.52) CTSKCTSSACEMC4RMC3R
SCHEMBL4042537 0.91 CTSK (0.49) CTSKCTSSCTSLACEF10
SCHEMBL4041541 0.90 CTSK (0.49) CTSKCTSSCTSLACEF10
SCHEMBL4042328 0.89 CTSK (0.51) CTSKCTSSACEMC4RMC3R
SCHEMBL4040987 0.88 CTSK (0.65) CTSKCTSSCTSLCTSVPREP
SCHEMBL4041797 0.88 CTSK (0.50) CTSKCTSSACEMC4RMC3R
SCHEMBL4042368 0.88 CTSK (0.50) CTSKCTSSCTSLF10MC4R
SCHEMBL4045865 0.88 CTSK (0.54) CTSKCTSSCTSLACECTSV
SCHEMBL4040234 0.88 CTSK (0.54) CTSKCTSSCTSLACEMC4R
SCHEMBL4043933 0.86 CTSK (0.51) CTSKCTSSCTSLACEMC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP claimed
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
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885CTSS 3/4885CTSL 57/4885

“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.