SCHEMBL20047580

SCHEMBL20047580

CC(C)(C)c1nc2c(C(C)(C)C)cccc2nc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.35
▸ KHK P50053 1/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ NR1H2 P55055 4/20 0.34
▸ CA2 P00918 1/20 0.34
▸ NR1H3 Q13133 1/20 0.33
▸ ENPP1 P22413 4/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ ENPP3 O14638 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL20047554 1.00 GAA (0.38) GAAKDM4EMAPTALDH1A1KHK
SCHEMBL20989986 0.91 CA2 (0.40) GAAMAPTALDH1A1NR1H2CA2
SCHEMBL20047490 0.86 NR1H2 (0.35) GAAKDM4EMAPTALDH1A1KHK
SCHEMBL23502449 0.82 NR1H2 (0.33) GAAKDM4EMAPTNR1H2NR1H3
SCHEMBL20047489 0.80 GAA (0.36) GAAKDM4EMAPTALDH1A1KHK
SCHEMBL23502487 0.80 GAA (0.42) GAAKDM4EMAPTALDH1A1KHK
SCHEMBL20043228 0.79 CA2 (0.36) GAAKDM4EMAPTALDH1A1CYP1A2
SCHEMBL20043226 0.79 CA2 (0.36) KDM4EMAPTALDH1A1CYP1A2NR1H2
SCHEMBL23502473 0.79 TLR8 (0.33) NR1H2NR1H3
SCHEMBL20047454 0.77 NQO2 (0.39) MAPTALDH1A1CYP2C19CYP1A2CYP2C9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-06-15 — — US disclosed
US-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 — — US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 — — 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 (3 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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 GAA 614/4885KDM4E 4232/4885MAPT 4191/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 GAA 614/4885KDM4E 4232/4885MAPT 4191/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 GAA 614/4885KDM4E 4232/4885MAPT 4191/4885

“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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