SCHEMBL20043218

SCHEMBL20043218

CC(C)(C)c1nc2c(cc(C(C)(C)C)c3ccccc32)s1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 11/20 0.33
MAPT P10636 2/20 0.33
GPR3 P46089 1/20 0.32
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL20047562 0.87 ATM (0.33) CASRMAPTATML3MBTL1
SCHEMBL20049289 0.84 RAB9A (0.43) MAPTGPR3ATML3MBTL1ALDH1A1
SCHEMBL20047537 0.80 TLR8 (0.46) CASRMAPT
SCHEMBL12109097 0.77 XIAP (0.45) CASRMAPTATML3MBTL1KDM4E
SCHEMBL28392628 0.73 CASR (0.40) CASRKDM4EALDH1A1HPGD
SCHEMBL9193166 0.72 ALDH1A1 (0.36) ALDH1A1
SCHEMBL26462924 0.69 LMNA (0.47) MAPTL3MBTL1KDM4EALDH1A1
SCHEMBL12341036 0.68 MIF (0.47) MAPTGPR3TNKSTNKS2KDM4E
SCHEMBL20043216 0.68 CASR (0.37) CASRMAPTKDM4EALDH1A1CYP2C9
SCHEMBL12354251 0.67 ALDH1A1 (0.57) MAPTATML3MBTL1KDM4EALDH1A1

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 4 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
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 CASR 879/4885MAPT 4191/4885GPR3 132/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 CASR 879/4885MAPT 4191/4885GPR3 132/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 CASR 879/4885MAPT 4191/4885GPR3 132/4885

“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.