SCHEMBL5239883

SCHEMBL5239883

CCOC(=O)c1c(O)c2cc(F)ccc2c(=O)n1CC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.40
KDM4E B2RXH2 4/20 0.40
ELANE P08246 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
HK1 P19367 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
RECQL P46063 1/20 0.36

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
SCHEMBL5233862 0.95 KDM4E (0.40) PTGDR2KDM4EELANEADORA3ADORA2A
SCHEMBL5230998 0.88 KDM4E (0.41) KDM4EELANEALDH1A1MAPTGAA
SCHEMBL5234504 0.87 PTGDR2 (0.39) PTGDR2
SCHEMBL5236157 0.87 RORA (0.41) KDM4EADORA3ADORA1ALDH1A1MAPT
SCHEMBL5238679 0.86 ALDH1A1 (0.50) KDM4EELANEALDH1A1MAPTGAA
SCHEMBL5276033 0.84 KDM4E (0.52) KDM4EALDH1A1MAPTGAALMNA
SCHEMBL5577145 0.84 PTGDR2 (0.43) PTGDR2KDM4EMAPTTSHR
SCHEMBL5236008 0.84 LMNA (0.39) KDM4EELANEALDH1A1MAPTGAA
SCHEMBL5235788 0.84 KDM4E (0.41) KDM4EELANEALDH1A1MAPTGAA
SCHEMBL5236394 0.84 KDM4E (0.46) KDM4EALDH1A1MAPTGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
US-20070117840-A1 Receptor antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
EP-1604983-A1 RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2005-12-14 EP disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 US 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 (2 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 PTGDR2 2823/4885KDM4E 897/4885ELANE 286/4885
US-20070117840-A1 Receptor antagonist FSHR, NR4A1, GHRHR PTGDR2 440/4885KDM4E 2749/4885ELANE 3914/4885

“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.