SCHEMBL20047562

SCHEMBL20047562

CCC(C)(C)c1nc2c(cc(C(C)(C)C)c3ccccc32)s1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CASR P41180 4/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
MAPT P10636 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
SCHEMBL20043218 0.87 CASR (0.33) ATML3MBTL1CASRMAPT
SCHEMBL20049289 0.78 RAB9A (0.43) ATML3MBTL1TLR8TLR7MAPT
SCHEMBL20047537 0.74 TLR8 (0.46) CASRTLR8TLR7MAPT
SCHEMBL12545796 0.69 CASR (0.53) L3MBTL1CASR
SCHEMBL9914279 0.68 TSHR (0.38) ATM
SCHEMBL9193166 0.67 ALDH1A1 (0.36)
SCHEMBL805055 0.66 ALDH1A1 (0.55) L3MBTL1CASRMAPT
SCHEMBL12109097 0.65 XIAP (0.45) ATML3MBTL1CASRMAPT
SCHEMBL25766604 0.63 NPC1 (0.33) ATM
SCHEMBL14642164 0.63 CASR (0.41) ATMCASRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 ATM 3368/4885L3MBTL1 4619/4885CASR 879/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 ATM 3368/4885L3MBTL1 4619/4885CASR 879/4885

“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.