SCHEMBL5956514

SCHEMBL5956514

COSc1cc2c(cc1C(=O)OC)OCCC2NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.36
KDM4D Q6B0I6 2/20 0.34
HSD17B2 P37059 1/20 0.34
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
TRPV1 Q8NER1 8/20 0.32
BRD4 O60885 2/20 0.32
CREBBP Q92793 2/20 0.32
LIPG Q9Y5X9 1/20 0.31
MAPK1 P28482 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
SCHEMBL5956857 1.00 KDM4E (0.38) KDM4EALDH1A1GAAKDM4DHSD17B2
SCHEMBL5956964 0.92 GAA (0.36) GAAHSD17B2NFKB1NFKB2RELA
SCHEMBL5956586 0.92 GAA (0.36) GAAHSD17B2NFKB1NFKB2RELA
SCHEMBL5956538 0.92 KDM4E (0.38) KDM4EALDH1A1GAAKDM4DHSD17B2
SCHEMBL5956752 0.92 KDM4E (0.38) KDM4EALDH1A1GAAKDM4DHSD17B2
SCHEMBL5956827 0.91 KDM4E (0.37) KDM4EALDH1A1GAAKDM4DHSD17B2
SCHEMBL5956639 0.91 KDM4E (0.37) KDM4EALDH1A1GAAKDM4DHSD17B2
SCHEMBL5956787 0.82 MEN1 (0.36) GAAHSD17B2NFKB1NFKB2RELA
SCHEMBL5956611 0.82 MEN1 (0.36) GAAHSD17B2NFKB1NFKB2RELA
SCHEMBL5956661 0.81 GAA (0.36) GAAHSD17B2NFKB1NFKB2RELA

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 KDM4E 1686/4885ALDH1A1 2624/4885GAA 1515/4885

“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.