SCHEMBL20047550

SCHEMBL20047550

CC(C)c1ccc2cc(C(C)(C)C)cc(F)c2c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
EIF4A3 P38919 2/20 0.34
ALOX5AP P20292 1/20 0.34
KCNH2 Q12809 1/20 0.32
HTR1D P28221 1/20 0.32
LMNA P02545 1/20 0.32
NR1I2 O75469 1/20 0.31
PTGES2 Q9H7Z7 1/20 0.31
RORA P35398 1/20 0.31
RORC P51449 1/20 0.31
RORB Q92753 1/20 0.31
TRPA1 O75762 1/20 0.31
PTGS1 P23219 1/20 0.31
CACNA1C Q13936 1/20 0.31
KIF11 P52732 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
UGT2B7 P16662 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
SCHEMBL20043182 0.80 KCNH2 (0.42) ALOX5APKCNH2HTR1DLMNANR1I2
SCHEMBL21161085 0.78 HDAC4 (0.38)
SCHEMBL20047692 0.77 LMNA (0.38) EIF4A3HTR1DLMNATRPA1PTGS1
SCHEMBL25480411 0.74 UGT2B7 (0.39) AKR1C3AKR1C2EIF4A3LMNANR1I2
SCHEMBL26180415 0.73 KCNH2 (0.32) ALOX5APKCNH2NR1I2ESR1ESR2
SCHEMBL19798851 0.73 HPRT1 (0.42) ALOX5APKCNH2LMNANR1I2KIF11
SCHEMBL23479809 0.72 UGT2B7 (0.41) AKR1C3AKR1C2KCNH2KIF11UGT2B7
SCHEMBL22672550 0.71 EIF4A3 (0.48) EIF4A3LMNA
SCHEMBL25878289 0.71 CYP3A4 (0.43) HTR1DLMNA
SCHEMBL15730470 0.70 TBK1 (0.40) EIF4A3NR1I2RORARORCRORB

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-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-23 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-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2019-06-27 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 (4 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 AKR1C3 800/4885AKR1C2 873/4885EIF4A3 1769/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 AKR1C3 800/4885AKR1C2 873/4885EIF4A3 1769/4885
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, GPBAR1 AKR1C3 799/4885AKR1C2 856/4885EIF4A3 1754/4885
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof SLC10A1, NR1H4, GPBAR1 AKR1C3 799/4885AKR1C2 856/4885EIF4A3 1754/4885

“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.