SCHEMBL4040275

SCHEMBL4040275

CCCC(NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.40
GPR132 Q9UNW8 4/20 0.39
AHR P35869 1/20 0.37
ABL1 P00519 4/20 0.36
SMYD3 Q9H7B4 2/20 0.36
NAMPT P43490 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
EPHX2 P34913 1/20 0.35
ACE P12821 1/20 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
SCHEMBL4043304 0.93 CTSK (0.49) CTSKGPR132AHRSMYD3NAMPT
SCHEMBL4038224 0.92 CTSK (0.44) CTSKGPR132SMYD3TAAR1ACE
SCHEMBL4042695 0.92 CHRNB2 (0.41) CTSKGPR132LMNAMMP1MMP3
SCHEMBL4038694 0.91 CTSK (0.39) CTSKGPR132SMYD3LMNAACE
SCHEMBL4039411 0.91 CTSK (0.43) CTSKGPR132MMP13ACE
SCHEMBL4037665 0.90 LMNA (0.44) CTSKGPR132AHRABL1NAMPT
SCHEMBL4045831 0.90 CTSK (0.51) CTSKGPR132SMYD3LMNAHTT
SCHEMBL4040649 0.90 CTSK (0.42) CTSKGPR132SMYD3LMNAACE
SCHEMBL4043768 0.89 CTSK (0.42) CTSKGPR132AHRABL1LMNA
SCHEMBL4041827 0.88 CTSK (0.43) CTSKGPR132SMYD3LMNAACE

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
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-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 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 2/4885GPR132 844/4885AHR 1859/4885

“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.