SCHEMBL5232805

SCHEMBL5232805

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.38
TP53 P04637 2/20 0.36
FAAH O00519 2/20 0.36
POLB P06746 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
HIF1A Q16665 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGER4 P35408 1/20 0.34
P2RX7 Q99572 1/20 0.34
CNR2 P34972 2/20 0.34

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
SCHEMBL5236226 0.96 PTGDR2 (0.36) PTGDR2TP53FAAHPOLBRXFP1
SCHEMBL5231048 0.90 TSHR (0.36) POLBKDM4EHPGDTSHRHSD17B10
SCHEMBL5275959 0.90 RORA (0.37) KDM4ETSHRHSD17B10PTGER4DPP4
SCHEMBL5237350 0.89 RORA (0.37) TP53POLBMAPTKDM4ETSHR
SCHEMBL5230679 0.89 DPP4 (0.36) TP53MAPTKDM4ECYP1A2CYP3A4
SCHEMBL5239523 0.89 RORA (0.42) PTGDR2FAAHPPARG
SCHEMBL5238703 0.89 LMNA (0.39) POLBDPP4THRB
SCHEMBL5231638 0.89 TSHR (0.37) POLBKDM4EHPGDTSHRHSD17B10
SCHEMBL5236402 0.89 PGR (0.40) TP53MAPTKDM4EHSD17B10DPP4
SCHEMBL5231951 0.89 POLB (0.34) TP53POLBMAPTKDM4ECYP1A2

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 PTGDR2 2823/4885TP53 2188/4885FAAH 1974/4885

“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.