SCHEMBL25968428

SCHEMBL25968428

CCC(=O)C(C)(C)Cc1c(C(=O)CC(C)(C)C)c2cc(C)ccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 16/20 0.64
PTGES O14684 5/20 0.64
PTGS2 P35354 2/20 0.51
PTGS1 P23219 1/20 0.51
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 3/20 0.50
MAPT P10636 3/20 0.50
CYP2C9 P11712 3/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 3/20 0.50
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 2/20 0.50
CYP2C19 P33261 2/20 0.50
HIF1A Q16665 2/20 0.50
ALOX5AP P20292 2/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 1/20 0.45
USP2 O75604 2/20 0.44

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
SCHEMBL25968431 0.90 PTGES2 (0.64) PTGES2PTGESPTGS2PTGS1CYP1A2
SCHEMBL25968429 0.90 PTGES2 (0.66) PTGES2PTGESPTGS2PTGS1CYP1A2
SCHEMBL25968366 0.90 PTGES2 (0.77) PTGES2PTGESPTGS2PTGS1CYP1A2
SCHEMBL25968363 0.88 PTGES2 (0.64) PTGES2PTGESPTGS2PTGS1CYP1A2
SCHEMBL25968433 0.88 PTGES2 (0.60) PTGES2PTGESPTGS2PTGS1CYP1A2
SCHEMBL25968368 0.86 PTGES2 (0.60) PTGES2PTGESPTGS2PTGS1CYP1A2
SCHEMBL23270737 0.80 PTGES2 (0.77) PTGES2PTGESPTGS2PTGS1CYP1A2
SCHEMBL30181373 0.80 PTGES2 (0.77) PTGES2PTGESPTGS2PTGS1CYP1A2
SCHEMBL25968427 0.80 PTGES2 (0.66) PTGES2PTGESPTGS2PTGS1CYP1A2
SCHEMBL30770982 0.80 PTGES2 (0.58) PTGES2PTGESPTGS2PTGS1CYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2023-08-08 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-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SHH, GLI1, SMO PTGES2 1332/4885PTGES 1603/4885PTGS2 646/4885

“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.