SCHEMBL5233633

SCHEMBL5233633

CCCCOc1c(CNC(=O)OC(C)(C)C)n(CC(C)(C)C)c(=O)c2ccc(CCC(=O)O)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP3A43 Q9HB55 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
PLA2G4A P47712 1/20 0.33
DPP4 P27487 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GPR17 Q13304 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33

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
SCHEMBL27599284 0.95 SERPINE1 (0.37) MAPK8HDAC6TDP1CYP1A1CYP2D6
SCHEMBL5236017 0.91 PDE3B (0.34) MAPK8LMNACYP1A1CYP2D6CYP2B6
SCHEMBL5237080 0.88 SDCBP (0.35) MAPK8TDP1CYP1A1CYP2D6CYP2B6
SCHEMBL5232143 0.86 KDM4E (0.37) MAPK8CYP1A1CYP2D6CYP2B6CYP2C19
SCHEMBL5231423 0.85 CYP1A1 (0.34) CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43
SCHEMBL5235231 0.85 DPP4 (0.43) MAPK8LMNADPP4S1PR4S1PR1
SCHEMBL5234879 0.84 KDM4E (0.38) L3MBTL1CYP1A1CYP2D6CYP2B6CYP2C19
SCHEMBL5236095 0.83 CYP1A1 (0.36) CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43
SCHEMBL5236103 0.83 CYP1A1 (0.36) CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43
SCHEMBL5238826 0.82 SDCBP (0.35) CYP1A1CYP2D6CYP2B6CYP2C19CYP3A43

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-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

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 MAPK8 2612/4885THRA 1886/4885THRB 1540/4885

“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.