SCHEMBL4039254

SCHEMBL4039254

CC(C)CC(CC(=O)N1CCN(c2ccccc2)CC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.37
FKBP1A P62942 1/20 0.36
RORC P51449 2/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.34

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
SCHEMBL4042418 0.91 ALDH1A1 (0.42) KDM4ECYP2C9ALDH1A1FKBP1ALMNA
SCHEMBL4038831 0.91 CHRM1 (0.39) FKBP1A
SCHEMBL4042902 0.91 REN (0.37) ALDH1A1FKBP1ALMNA
SCHEMBL4043749 0.89 SMYD3 (0.35) CYP2C9CYP2C19ALDH1A1FKBP1A
SCHEMBL4041227 0.89 CHRM1 (0.42) KDM4ECYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL4045270 0.87 CYP2C9 (0.38) KDM4ECYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL4043258 0.87 KDM4E (0.39) KDM4ECYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL4043201 0.87 KDM4E (0.40) KDM4ECYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL4039288 0.86 FKBP1A (0.35) FKBP1A
SCHEMBL4039911 0.84 FKBP1A (0.34) FKBP1A

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-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 KDM4E 3911/4885CYP2C9 80/4885CYP2C19 430/4885

“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.