SCHEMBL22855506

SCHEMBL22855506

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](NC(=O)CC[C@@H](N)C(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHA2 P29317 4/20 0.65
▸ CASP7 P55210 3/20 0.65
▸ HSD17B10 Q99714 3/20 0.65
▸ GPBAR1 Q8TDU6 3/20 0.65
▸ TDP1 Q9NUW8 3/20 0.65
▸ TP53 P04637 2/20 0.65
▸ MAPK1 P28482 2/20 0.65
▸ BLM P54132 2/20 0.65
▸ USP2 O75604 2/20 0.65
▸ CYP3A4 P08684 2/20 0.65
▸ HIF1A Q16665 2/20 0.65
▸ AKR1B10 O60218 2/20 0.65
▸ AKR1B1 P15121 2/20 0.65
▸ LMNA P02545 2/20 0.65
▸ MDM4 O15151 1/20 0.65
▸ MAPT P10636 1/20 0.65
▸ HSPD1 P10809 1/20 0.65
▸ VDR P11473 1/20 0.65
▸ TSHR P16473 1/20 0.65
▸ PTPN2 P17706 1/20 0.65

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
SCHEMBL22855508 1.00 EPHA2 (0.65) EPHA2CASP7HSD17B10GPBAR1TDP1
SCHEMBL22855507 0.93 ST6GAL1 (0.65) EPHA2CASP7HSD17B10GPBAR1TDP1
SCHEMBL22855456 0.90 VDR (0.70) EPHA2CASP7HSD17B10GPBAR1TDP1
SCHEMBL18575958 0.87 VDR (0.69) EPHA2CASP7HSD17B10GPBAR1TDP1
SCHEMBL18575957 0.87 VDR (0.69) EPHA2CASP7HSD17B10GPBAR1TDP1
SCHEMBL20480609 0.87 ST6GAL1 (0.71) EPHA2CASP7HSD17B10GPBAR1TDP1
SCHEMBL18576208 0.87 ST6GAL1 (0.71) EPHA2CASP7HSD17B10GPBAR1TDP1
SCHEMBL20480604 0.87 ST6GAL1 (0.71) EPHA2CASP7HSD17B10GPBAR1TDP1
SCHEMBL20480607 0.87 ST6GAL1 (0.71) EPHA2CASP7HSD17B10GPBAR1TDP1
SCHEMBL22855309 0.86 VDR (0.73) EPHA2CASP7HSD17B10GPBAR1TDP1

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
WO-2020260558-A1 3-MODIFIED ISO-/ISOALLO-LITHOCHOLIC ACID DERIVATIVES OR THEIR HOMO-ANALOGS FOR PREVENTING AND TREATING CLOSTRIDIOIDES DIFFICILE-ASSOCIATED DISEASES PHENEX PHARMACEUTICALS AG (DE) 2020-12-30 — — WO disclosed
US-20160324833-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2016-11-10 — — 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-20160324833-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, WNK1, KCNJ1 EPHA2 4552/4885CASP7 3415/4885HSD17B10 3342/4885

“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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