SCHEMBL20043413

SCHEMBL20043413

COC(=O)c1cc(OC(F)F)c2nc(N)sc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.42
MAPT P10636 3/20 0.42
CYP3A4 P08684 3/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 2/20 0.39
TNF P01375 2/20 0.39
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
MCL1 Q07820 2/20 0.39
NOD1 Q9Y239 2/20 0.39
NOD2 Q9HC29 1/20 0.39
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 3/20 0.39
NR2F2 P24468 1/20 0.39

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
SCHEMBL29010729 0.90 CYP2C9 (0.41) CYP2C9MAPTCYP3A4KCNH2ALDH1A1
SCHEMBL20043415 0.86 SMN1; SMN2 (0.42) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL23196255 0.86 CYP2C19 (0.39) MAPTCYP3A4ALDH1A1LMNAHPGD
SCHEMBL642545 0.85 CYP3A4 (0.50) CYP2C9MAPTCYP3A4KCNH2ALDH1A1
SCHEMBL19900251 0.82 CYP2C9 (0.42) CYP2C9MAPTCYP3A4KCNH2ALDH1A1
SCHEMBL20833809 0.81 CYP2C9 (0.42) CYP2C9MAPTCYP3A4KCNH2ALDH1A1
SCHEMBL11700360 0.81 CYP3A4 (0.48) CYP2C9MAPTCYP3A4KCNH2ALDH1A1
SCHEMBL2275450 0.80 LMNA (0.51) CYP2C9MAPTCYP3A4KCNH2ALDH1A1
SCHEMBL21195471 0.80 CYP3A4 (0.45) CYP2C9MAPTCYP3A4KCNH2ALDH1A1
SCHEMBL6058096 0.79 HSD17B10 (0.55) CYP2C9MAPTCYP3A4KCNH2ALDH1A1

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 5 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
WO-2018067704-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-04-12 WO 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 CYP2C9 446/4885MAPT 4191/4885CYP3A4 418/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 CYP2C9 446/4885MAPT 4191/4885CYP3A4 418/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 CYP2C9 446/4885MAPT 4191/4885CYP3A4 418/4885

“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.