SCHEMBL4043418

SCHEMBL4043418

NC(=O)CC[CH]C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.38
SMYD3 Q9H7B4 2/20 0.37
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 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
SCHEMBL6210370 0.87 FKBP1A (0.41) FKBP1ASMYD3ALDH1A1CYP2C9TSHR
SCHEMBL4038371 0.87 KDM4E (0.40) SMYD3ALDH1A1TSHRCYP2C19
SCHEMBL4044948 0.86 SMYD3 (0.38) FKBP1ASMYD3ALDH1A1CYP2C9TSHR
SCHEMBL4044949 0.86 SMYD3 (0.38) FKBP1ASMYD3ALDH1A1CYP2C9TSHR
SCHEMBL4040334 0.84 TBXAS1 (0.36) ALDH1A1TSHR
SCHEMBL4044854 0.84 FKBP1A (0.37) FKBP1ASMYD3
SCHEMBL4046219 0.83 PARP1 (0.35) ALDH1A1TSHRPARP1
SCHEMBL4039942 0.83 PARP1 (0.38) ALDH1A1CYP2C9PARP1PARP2
SCHEMBL4044301 0.82 MAPK8 (0.36) FKBP1ASMYD3ALDH1A1CYP2C9TSHR
SCHEMBL6209144 0.80 SMYD3 (0.38) FKBP1ASMYD3ALDH1A1CYP2C9TSHR

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 FKBP1A 1519/4885SMYD3 4011/4885ALDH1A1 4151/4885

“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.