SCHEMBL20504692

SCHEMBL20504692

CCOc1cc(B2OC(C)(C)C(C)(C)O2)cc(CC)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.36
TSHR P16473 3/20 0.35
HSD17B10 Q99714 1/20 0.35
LIPG Q9Y5X9 3/20 0.34
LPL P06858 2/20 0.33
DGAT1 O75907 1/20 0.33
LMNA P02545 1/20 0.33
RXRA P19793 1/20 0.33
HNF4A P41235 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
P4HB P07237 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL20504886 0.91 LIPG (0.40) HIF1ATSHRHSD17B10LIPGLPL
SCHEMBL20505519 0.87 HIF1A (0.35) HIF1ATSHRHSD17B10LIPGLPL
SCHEMBL20504858 0.86 ROCK1 (0.38) HIF1ATSHRHSD17B10LIPGLPL
SCHEMBL20505549 0.86 AAK1 (0.39) HIF1ATSHRHSD17B10LIPGDGAT1
SCHEMBL22408147 0.80 LIPG (0.36) HIF1ALIPGLPLGSK3AGSK3B
SCHEMBL22407974 0.80 ROCK1 (0.43) HIF1ALIPGLPLDGAT1GSK3A
SCHEMBL20504940 0.80 LIPG (0.40) LIPGLPL
SCHEMBL20564345 0.78 HIF1A (0.38) HIF1ATSHRDGAT1GSK3AGSK3B
SCHEMBL16898733 0.77 HIF1A (0.44) HIF1ATSHRHSD17B10LIPGLPL
SCHEMBL20562145 0.77 GAA (0.38) HIF1ATSHRDGAT1GSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11241431-B2 N-substituted indole derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2022-02-08 US disclosed
US-20200289507-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2020-09-17 US disclosed
EP-3377483-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2018-09-26 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 (2 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-20200289507-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 HIF1A 1633/4885TSHR 325/4885HSD17B10 1375/4885
US-11241431-B2 N-substituted indole derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 HIF1A 1633/4885TSHR 325/4885HSD17B10 1375/4885

“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.