SCHEMBL4038004

SCHEMBL4038004

CC(C)(C)CC(CC(=O)N1CCOCC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
CTSK P43235 2/20 0.33
HTT P42858 2/20 0.33
CYP3A4 P08684 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSS P25774 1/20 0.32
GAA P10253 2/20 0.32
PLOD2 O00469 1/20 0.31
PLOD3 O60568 1/20 0.31
PLOD1 Q02809 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CCR8 P51685 1/20 0.31

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
SCHEMBL4038283 0.92 ALDH1A1 (0.38) ALDH1A1CTSKHTTCYP3A4LMNA
SCHEMBL4046534 0.89 ALDH1A1 (0.35) ALDH1A1CTSKHTTLMNACTSS
SCHEMBL4043543 0.88 CTSS (0.39) ALDH1A1CTSKCTSS
SCHEMBL4045590 0.87 SMYD3 (0.36) ALDH1A1CTSKHTTLMNACTSS
SCHEMBL4041223 0.86 CTSK (0.35) ALDH1A1CTSKMEN1KMT2ACTSS
SCHEMBL4040388 0.84 CTSK (0.35) ALDH1A1CTSK
SCHEMBL4041928 0.83 CTSK (0.35) ALDH1A1CTSKGAA
SCHEMBL4045270 0.83 CYP2C9 (0.38) ALDH1A1CTSKCYP3A4LMNACYP2C9
SCHEMBL4038306 0.82 CTSK (0.45) CTSKCTSS
SCHEMBL4042039 0.82 ALDH1A1 (0.40) ALDH1A1CTSKHTTCYP3A4LMNA

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-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
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 ALDH1A1 4151/4885CTSK 2/4885HTT 2905/4885

“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.