Sugi Predict

Sugi Predict / Compounds / SCHEMBL20043216

SCHEMBL20043216

SCHEMBL20043216

CC(C)(C)c1nc2cc(-c3ccccc3)c(C(C)(C)C)cc2s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 11/20 0.37
▸ PIK3CA P42336 1/20 0.35
▸ PI4KA P42356 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TNF P01375 1/20 0.33

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
SCHEMBL20049287 0.85 SMN1; SMN2 (0.47) ALDH1A1MAPTHPGDGAAPKM
SCHEMBL20047532 0.82 LIPG (0.39) CASRPIK3CAPI4KAPI4KBKDM4E
SCHEMBL2705764 0.75 RAB9A (0.45) CASRALDH1A1MAPTHPGDGAA
SCHEMBL20043205 0.74 GAA (0.44) CASRKDM4EALDH1A1MAPTHPGD
SCHEMBL23502490 0.73 NPC1 (0.33) CASRALDH1A1MAPTHPGDGAA
SCHEMBL20043214 0.73 PPOX (0.33) CASRALDH1A1MAPTHPGDGAA
SCHEMBL20043213 0.73 CASR (0.37) CASRALDH1A1MAPTHPGDGAA
SCHEMBL19749195 0.73 SMN1; SMN2 (0.52) CASRALDH1A1MAPTHPGDGAA
SCHEMBL20043211 0.71 CASR (0.43) CASRKDM4EALDH1A1MAPTHPGD
SCHEMBL20047528 0.71 PTGS1 (0.33) CASRALDH1A1MAPTHPGDGAA

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 879/4885PIK3CA 2594/4885PI4KA 2583/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 CASR 879/4885PIK3CA 2594/4885PI4KA 2583/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 CASR 879/4885PIK3CA 2594/4885PI4KA 2583/4885

“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.