SCHEMBL26416646

SCHEMBL26416646

COC(=O)c1ccc([C@H](C)NC(=O)c2c(C)nn(C)c2Oc2cccc(C(C)C)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.66
PTGER2 P43116 1/20 0.53
PHGDH O43175 3/20 0.41
ROCK1 Q13464 5/20 0.41
ROCK2 O75116 5/20 0.41
PRKG1 Q13976 3/20 0.41
RPS6KA5 O75582 2/20 0.41
PRKACA P17612 2/20 0.41
RPS6KB1 P23443 2/20 0.41
CDK2 P24941 2/20 0.41
MAPK1 P28482 2/20 0.41
AKT2 P31751 2/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
PRKX P51817 2/20 0.41
PRKCD Q05655 2/20 0.41
PRKG2 Q13237 2/20 0.41
PKN2 Q16513 2/20 0.41
CDC42BPA Q5VT25 2/20 0.41
HIPK4 Q8NE63 2/20 0.41

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
SCHEMBL26416642 0.92 PTGER4 (0.77) PTGER4PTGER2PHGDH
SCHEMBL28708481 0.89 PTGER4 (0.64) PTGER4PTGER2PHGDHLMNAPDE2A
SCHEMBL24861965 0.89 PTGER4 (0.64) PTGER4PTGER2PHGDHLMNAPDE2A
SCHEMBL26416727 0.88 PTGER4 (0.63) PTGER4PTGER2PHGDHCYP2C9LMNA
SCHEMBL26418761 0.88 PTGER4 (0.79) PTGER4PTGER2PHGDHROCK1ROCK2
SCHEMBL30331372 0.88 PTGER4 (0.79) PTGER4PTGER2PHGDHROCK1ROCK2
SCHEMBL28702081 0.88 PTGER4 (0.79) PTGER4PTGER2PHGDHROCK1ROCK2
SCHEMBL24861802 0.87 PTGER4 (0.76) PTGER4PTGER2PHGDH
SCHEMBL24861801 0.87 PTGER4 (0.76) PTGER4PTGER2PHGDH
SCHEMBL26416723 0.85 PTGER4 (0.69) PTGER4PTGER2PDE2A

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-20230125494-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCER AND INFLAMMATION Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-04-27 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-20230125494-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCER AND INFLAMMATION PTGER4, PTGER3, PTGER2 PTGER4 1/4885PTGER2 3/4885PHGDH 2203/4885

“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.