SCHEMBL20065876

SCHEMBL20065876

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nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 11/20 0.84
CASP7 P55210 3/20 0.70
HIF1A Q16665 3/20 0.70
TP53 P04637 2/20 0.70
MAPK1 P28482 2/20 0.70
HSD17B10 Q99714 2/20 0.70
BLM P54132 2/20 0.70
TDP1 Q9NUW8 2/20 0.70
VDR P11473 2/20 0.70
USP2 O75604 2/20 0.70
LMNA P02545 2/20 0.70
CYP3A4 P08684 2/20 0.70
NR1H4 Q96RI1 2/20 0.70
MDM4 O15151 1/20 0.70
MAPT P10636 1/20 0.70
HSPD1 P10809 1/20 0.70
TSHR P16473 1/20 0.70
PTPN2 P17706 1/20 0.70
PTPN1 P18031 1/20 0.70
EPHA2 P29317 1/20 0.70

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
SCHEMBL15893422 1.00 GPBAR1 (0.84) GPBAR1CASP7HIF1ATP53MAPK1
SCHEMBL22192109 0.91 GPBAR1 (1.00) GPBAR1CASP7HIF1ATP53MAPK1
SCHEMBL15896184 0.91 GPBAR1 (1.00) GPBAR1CASP7HIF1ATP53MAPK1
SCHEMBL593585 0.91 GPBAR1 (1.00) GPBAR1CASP7HIF1ATP53MAPK1
SCHEMBL592955 0.91 GPBAR1 (1.00) GPBAR1CASP7HIF1ATP53MAPK1
SCHEMBL20065894 0.91 GPBAR1 (1.00) GPBAR1CASP7HIF1ATP53MAPK1
SCHEMBL592954 0.91 GPBAR1 (1.00) GPBAR1CASP7HIF1ATP53MAPK1
SCHEMBL26600064 0.88 GPBAR1 (0.79) GPBAR1CASP7HIF1ATP53MAPK1
SCHEMBL26600059 0.88 GPBAR1 (0.79) GPBAR1CASP7HIF1ATP53MAPK1
SCHEMBL20065870 0.87 GPBAR1 (0.77) GPBAR1CASP7HIF1ATP53MAPK1

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-20180105533-A1 BILE ACID RECEPTOR MODULATORS AND METHODS OF USE THEREOF CITY OF HOPE 2018-04-19 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-20180105533-A1 BILE ACID RECEPTOR MODULATORS AND METHODS OF USE THEREOF NR1H4, GPBAR1, SLC10A2 GPBAR1 2/4885CASP7 3096/4885HIF1A 4835/4885

“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.