SCHEMBL5233036

SCHEMBL5233036

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.37
DPP4 P27487 5/20 0.37
CTDSP1 Q9GZU7 1/20 0.36
MAPT P10636 2/20 0.35
S1PR3 Q99500 4/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
AAK1 Q2M2I8 2/20 0.33
AVPR1B P47901 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMPD1 P17405 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
SCHEMBL5231048 0.93 TSHR (0.36) DPP4S1PR3PPARGPPARDPPARA
SCHEMBL5235811 0.91 TP53 (0.35) RORCDPP4MAPTS1PR3
SCHEMBL5231638 0.91 TSHR (0.37) DPP4S1PR3PPARGPPARDPPARA
SCHEMBL5231951 0.91 POLB (0.34) DPP4MAPTALDH1A1HPGDMAPK1
SCHEMBL5236402 0.89 PGR (0.40) RORCDPP4MAPTAVPR1B
SCHEMBL5233701 0.89 TSHR (0.36) DPP4S1PR3PPARGPPARDPPARA
SCHEMBL6700370 0.89 S1PR3 (0.34) RORCDPP4S1PR3PPARGALDH1A1
SCHEMBL5232653 0.88 MAPT (0.36) MAPTS1PR3PPARAAVPR1BALDH1A1
SCHEMBL5235636 0.88 HTT (0.38) RORCS1PR3PPARGPPARDPPARA
SCHEMBL5234252 0.88 AR (0.40) DPP4S1PR3AVPR1BALDH1A1HPGD

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 2 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-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 RORC 2671/4885DPP4 2/4885CTDSP1 3074/4885

“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.