SCHEMBL5239642

SCHEMBL5239642

CCCCOc1c(C(=O)O)n(CC(C)C)c(=O)c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.45
EDNRA P25101 1/20 0.44
HRH3 Q9Y5N1 1/20 0.41
MAPK8 P45983 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MDH2 P40926 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
MAOB P27338 1/20 0.39
PLA2G2D Q9UNK4 1/20 0.39

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
SCHEMBL5239247 0.90 DPP4 (0.42) DPP4EDNRAHRH3LTB4RLTB4R2
SCHEMBL5233462 0.87 PLA2G2D (0.41) EDNRAMAPK8ALDH1A1HPGDMDH2
SCHEMBL5234425 0.86 DPP4 (0.47) DPP4EDNRAHRH3SMN1; SMN2MAOB
SCHEMBL27599395 0.86 DPP4 (0.48) DPP4EDNRAHRH3ALDH1A1HPGD
SCHEMBL5239136 0.86 MAPK8 (0.42) EDNRAHRH3MAPK8ALDH1A1HPGD
SCHEMBL5236115 0.85 DPP4 (0.43) DPP4EDNRAHRH3LTB4RLTB4R2
SCHEMBL5237284 0.84 DPP4 (0.46) DPP4HRH3SMN1; SMN2MAOB
SCHEMBL5236109 0.84 DPP4 (0.46) DPP4EDNRAMAOB
SCHEMBL5234388 0.84 DPP4 (0.58) DPP4EDNRAMAPK8
SCHEMBL5576568 0.84 DPP4 (0.48) DPP4EDNRAHRH3ALDH1A1HPGD

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-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
CN-1500080-A Fused heterocyclic compounds ����ҩƷ��ҵ��ʽ���� 2004-05-26 CN disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 US disclosed
WO-2002062764-A9 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-10 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 DPP4 2/4885EDNRA 948/4885HRH3 764/4885

“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.