SCHEMBL26417346

SCHEMBL26417346

COC(=O)c1ccc([C@H](C)NC(=O)c2c(C)nn(C)c2Oc2csc(C(F)(F)F)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 8/20 0.61
▸ PTGER2 P43116 1/20 0.49
▸ PHGDH O43175 5/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PDE2A O00408 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35

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
SCHEMBL26417363 0.92 PTGER4 (0.72) PTGER4PTGER2PHGDHKDM4EMAPT
SCHEMBL26416555 0.92 PTGER4 (0.62) PTGER4PTGER2PHGDHCYP1A2CYP3A4
SCHEMBL24861972 0.92 PTGER4 (0.61) PTGER4PTGER2PHGDHPDE2ALMNA
SCHEMBL24861973 0.92 PTGER4 (0.61) PTGER4PTGER2PHGDHPDE2ALMNA
SCHEMBL24861807 0.90 PTGER4 (0.62) PTGER4PTGER2PHGDHPDE2AROCK2
SCHEMBL24861730 0.84 PTGER4 (0.72) PTGER4PTGER2PHGDHLMNA
SCHEMBL24861806 0.84 PTGER4 (0.72) PTGER4PTGER2PHGDHLMNA
SCHEMBL26417331 0.82 PTGER4 (0.72) PTGER4PTGER2PHGDH
SCHEMBL24861880 0.82 PTGER4 (0.72) PTGER4PTGER2PHGDH
SCHEMBL24861801 0.81 PTGER4 (0.76) PTGER4PTGER2PHGDH

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.

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