SCHEMBL19268307

SCHEMBL19268307

CC(C)(C)c1cnnc(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 2/20 0.42
▸ SORT1 Q99523 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ RXRB P28702 5/20 0.38
▸ RXRA P19793 4/20 0.38
▸ RXRG P48443 1/20 0.38
▸ SRD5A2 P31213 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HCAR2 Q8TDS4 3/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ DAO P14920 1/20 0.34
▸ GLRA3 O75311 1/20 0.34
▸ GLRB P48167 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ RARG P13631 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CCR9 P51686 3/20 0.33
▸ ASPH Q12797 1/20 0.33

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
SCHEMBL14755583 0.85 LRRK2 (0.39) GRNSORT1KDM4EALDH1A1TSHR
SCHEMBL23012611 0.80 ASPH (0.44) SORT1KDM4ERXRBRXRARXRG
SCHEMBL29488332 0.80 ASPH (0.44) SORT1KDM4ERXRBRXRARXRG
SCHEMBL14948629 0.77 ALOX15 (0.54) KDM4ERXRBRXRARXRGSRD5A2
SCHEMBL26818230 0.72 GABRA1 (0.41) KDM4EALDH1A1ALOX15TDP1CCR9
SCHEMBL19297940 0.72 HCAR2 (0.47) KDM4EALDH1A1HCAR2ALOX15TSHR
SCHEMBL2054583 0.71 ALDH1A1 (0.55) KDM4ERXRBRXRARXRGSRD5A2
SCHEMBL29538013 0.71 ALDH1A1 (0.55) KDM4ERXRBRXRARXRGSRD5A2
SCHEMBL163851 0.70 ALOX15 (0.39) KDM4EALDH1A1HCAR2ALOX15TSHR
SCHEMBL5593032 0.70 TSHR (0.56) KDM4EALDH1A1HCAR2ALOX15TSHR

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
US-20170240586-A1 Benzoic Acid Derivatives of Bile Acid as FXR/TGR5 Agonists and Methods of Use Thereof ENANTA PHARMACEUTICALS, INC. 2017-08-24 — — US disclosed
US-20170240586-A1 Benzoic Acid Derivatives of Bile Acid as FXR/TGR5 Agonists and Methods of Use Thereof ENANTA PHARMACEUTICALS, INC. 2017-08-24 — — 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-20170240586-A1 Benzoic Acid Derivatives of Bile Acid as FXR/TGR5 Agonists and Methods of Use Thereof GPBAR1, NR1H4, SLC10A1 GRN 1677/4885SORT1 2264/4885KDM4E 3890/4885

“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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