SCHEMBL5956757

SCHEMBL5956757

COC(=O)c1ccc2c(c1SC)OCC[C@@H]2NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
TRPV1 Q8NER1 6/20 0.34
ATR Q13535 1/20 0.33
KDM4D Q6B0I6 2/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
HSD17B2 P37059 1/20 0.32
TSHR P16473 1/20 0.32
BRD4 O60885 2/20 0.32
CREBBP Q92793 2/20 0.32
KDM1A O60341 1/20 0.31
MAOB P27338 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
SCHEMBL5956845 1.00 GAA (0.36) GAATRPV1ATRKDM4DNFKB1
SCHEMBL5956519 0.91 GAA (0.36) GAATRPV1NFKB1NFKB2RELA
SCHEMBL5956782 0.91 GAA (0.36) GAATRPV1NFKB1NFKB2RELA
SCHEMBL5956896 0.79 TSHR (0.37) TSHR
SCHEMBL5956540 0.79 TSHR (0.37) TSHR
SCHEMBL5956890 0.78 TSHR (0.36) GAATSHR
SCHEMBL5956740 0.78 TSHR (0.36) GAATSHR
SCHEMBL5956538 0.77 KDM4E (0.38) GAATRPV1ATRKDM4DNFKB1
SCHEMBL5956752 0.77 KDM4E (0.38) GAATRPV1ATRKDM4DNFKB1
SCHEMBL21189247 0.77 TRPV1 (0.40) GAATRPV1NFKB1NFKB2RELA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP disclosed
US-6933305-B2 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-08-23 US disclosed
US-20030158413-A1 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-08-21 US disclosed
EP-1270570-A1 AMIDE COMPOUNDS AND USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-01-02 EP 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-20030158413-A1 Amide compounds and use thereof ROCK2, ROCK1, RHOT2 GAA 1515/4885TRPV1 3576/4885ATR 1673/4885

“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.