SCHEMBL4044301

SCHEMBL4044301

NC(=O)c1ccsc1C[CH]C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
FKBP1A P62942 1/20 0.34
SMYD3 Q9H7B4 2/20 0.34
TSHR P16473 2/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL4041297 0.88 KDM4E (0.36) MAPK8PARP1PARP2SMYD3TSHR
SCHEMBL4041690 0.86 KMT2A (0.32) MAPK8PARP1PARP2
SCHEMBL4038703 0.85 PARP1 (0.36) PARP1MAPT
SCHEMBL4044386 0.85 MAPK8 (0.42) MAPK8PARP1PARP2ALDH1A1
SCHEMBL4043418 0.82 FKBP1A (0.38) PARP1PARP2FKBP1ASMYD3TSHR
SCHEMBL4044854 0.81 FKBP1A (0.37) FKBP1ASMYD3
SCHEMBL4044079 0.81 CTSL (0.33) PARP1SMYD3
SCHEMBL4044948 0.80 SMYD3 (0.38) FKBP1ASMYD3TSHRALDH1A1CYP2C9
SCHEMBL4044949 0.80 SMYD3 (0.38) FKBP1ASMYD3TSHRALDH1A1CYP2C9
SCHEMBL4042202 0.79 PARP1 (0.30) PARP1

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 MAPK8 1235/4885PARP1 4400/4885PARP2 4534/4885

“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.