SCHEMBL5576576

SCHEMBL5576576

CC(C)(C)Cn1c(C(=O)O)c(O)c2ccc(F)cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.41
PER2 O15055 8/20 0.36
HIF1A Q16665 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 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
MPO P05164 1/20 0.35
CRY1 Q16526 1/20 0.34
CRY2 Q49AN0 1/20 0.34
DPP4 P27487 1/20 0.34
PIK3CA P42336 1/20 0.34
EGLN3 Q9H6Z9 1/20 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
SCHEMBL5577145 0.95 PTGDR2 (0.43) PTGDR2PER2HIF1AKDM4ECYP1A2
SCHEMBL5576489 0.85 EGLN1 (0.41) DPP4
SCHEMBL5233862 0.84 KDM4E (0.40) PTGDR2KDM4EMAPTTSHR
SCHEMBL5576858 0.82 MAPT (0.43) PTGDR2KDM4EMAPTHPGDTSHR
SCHEMBL5234504 0.81 PTGDR2 (0.39) PTGDR2PER2HIF1ACRY1CRY2
SCHEMBL5239883 0.80 PTGDR2 (0.40) PTGDR2KDM4EMAPTTSHR
SCHEMBL5237316 0.79 PTGER4 (0.37) PTGDR2KDM4EMAPTHPGDHSD17B10
SCHEMBL5232796 0.77 PTGDR2 (0.39) PTGDR2KDM4EMAPTHPGDHSD17B10
SCHEMBL5577112 0.73 MAPK8 (0.47) HIF1ACRY1CRY2
SCHEMBL5235788 0.72 KDM4E (0.41) KDM4ECYP1A2MAPTCYP2C9CYP2C19

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
US-20070117840-A1 Receptor antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
EP-1604983-A1 RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2005-12-14 EP 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-20070117840-A1 Receptor antagonist FSHR, NR4A1, GHRHR PTGDR2 440/4885PER2 1459/4885HIF1A 1265/4885

“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.