SCHEMBL21202026

SCHEMBL21202026

CC(C)c1ccc(C(=O)OC(C)(C)c2ccc(-c3nnco3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.59
▸ GPR119 Q8TDV5 1/20 0.44
▸ TSHR P16473 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL22166487 0.78 NOTUM (0.60) NOTUMTSHRL3MBTL1MAPTESR1
SCHEMBL10022397 0.77 NOTUM (1.00) NOTUMTSHRMAPTHPGDALDH1A1
SCHEMBL22312193 0.73 TSHR (0.55) NOTUMTSHRL3MBTL1MAPTESR1
SCHEMBL614454 0.68 NOTUM (0.63) NOTUMTSHRMAPTHPGDALDH1A1
SCHEMBL10168904 0.68 CA12 (0.50) L3MBTL1MAPTPOLBALDH1A1LMNA
SCHEMBL26915283 0.67 RAB9A (0.50) TSHRMAPTPOLBHPGDALDH1A1
SCHEMBL69432 0.67 NOTUM (0.60) NOTUMTSHRL3MBTL1MAPTALDH1A1
SCHEMBL21347448 0.67 CYP2C9 (0.50) L3MBTL1MAPTHPGDALDH1A1KDM4E
SCHEMBL28268977 0.67 NOTUM (0.61) NOTUMTSHRMAPTHPGDALDH1A1
SCHEMBL23489040 0.66 CYP2C9 (0.49) L3MBTL1MAPTHPGDALDH1A1KDM4E

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-10364267-B2 Deuterated bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-07-30 — — 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-10364267-B2 Deuterated bile acid derivatives as FXR/TGR5 agonists and methods of use thereof NR1H4, GPBAR1, SLC10A1 NOTUM 804/4885GPR119 36/4885TSHR 133/4885

“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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