SCHEMBL22855027

SCHEMBL22855027

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nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 6/20 0.69
▸ USP2 O75604 2/20 0.69
▸ GPBAR1 Q8TDU6 4/20 0.68
▸ HSD17B10 Q99714 3/20 0.68
▸ TDP1 Q9NUW8 3/20 0.68
▸ AKR1B10 O60218 2/20 0.68
▸ AKR1B1 P15121 2/20 0.68
▸ EPHA2 P29317 2/20 0.68
▸ LMNA P02545 2/20 0.68
▸ EFNA1 P20827 1/20 0.68
▸ PSEN1 P49768 1/20 0.68
▸ PSEN2 P49810 1/20 0.68
▸ APH1B Q8WW43 1/20 0.68
▸ NCSTN Q92542 1/20 0.68
▸ APH1A Q96BI3 1/20 0.68
▸ PSENEN Q9NZ42 1/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ CASP7 P55210 3/20 0.67
▸ TP53 P04637 2/20 0.67

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
SCHEMBL22855097 1.00 VDR (0.69) VDRUSP2GPBAR1HSD17B10TDP1
SCHEMBL5891891 0.86 GPBAR1 (0.70) VDRUSP2GPBAR1HSD17B10TDP1
SCHEMBL29120311 0.85 GPBAR1 (0.73) VDRUSP2GPBAR1HSD17B10TDP1
SCHEMBL10385209 0.85 GPBAR1 (0.73) VDRUSP2GPBAR1HSD17B10TDP1
SCHEMBL19864253 0.85 GPBAR1 (0.73) VDRUSP2GPBAR1HSD17B10TDP1
SCHEMBL4624060 0.85 GPBAR1 (0.73) VDRUSP2GPBAR1HSD17B10TDP1
SCHEMBL18575773 0.85 GPBAR1 (0.73) VDRUSP2GPBAR1HSD17B10TDP1
SCHEMBL3125136 0.85 GPBAR1 (0.73) VDRUSP2GPBAR1HSD17B10TDP1
SCHEMBL30620024 0.85 GPBAR1 (0.73) VDRUSP2GPBAR1HSD17B10TDP1
SCHEMBL26670107 0.85 GPBAR1 (0.73) VDRUSP2GPBAR1HSD17B10TDP1

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-20160326086-A1 4-HYDROXYBUTYRIC ACID ANALOGS SUN PHARMACEUTICAL INDUSTRIES, INC. 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-20160326086-A1 4-HYDROXYBUTYRIC ACID ANALOGS HCRTR2, HCRTR1, HTR2B VDR 2829/4885USP2 1927/4885GPBAR1 637/4885

“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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