Sugi Predict

Sugi Predict / Compounds / SCHEMBL20119243

SCHEMBL20119243

SCHEMBL20119243

CN1Cc2cccc(C(C)(C)C)c2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.39
▸ MAOB P27338 2/20 0.39
▸ CA2 P00918 1/20 0.39
▸ GABRA1 P14867 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ ADRA2A P08913 3/20 0.34
▸ ADRA2B P18089 3/20 0.34
▸ ADRA2C P18825 3/20 0.34
▸ ADRA1D P25100 2/20 0.34
▸ ADRA1A P35348 2/20 0.34
▸ ADRA1B P35368 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ HTR6 P50406 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ HTR1A P08908 2/20 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
SCHEMBL13133950 0.84 MAOA (0.53) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL15935204 0.84 MAOA (0.53) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL20178642 0.83 NOTUM (0.43) MAOAMAOBCYP2D6ALDH1A1TSHR
SCHEMBL13112855 0.79 TMEM97 (0.38) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL20178661 0.79 CA2 (0.38) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL20173789 0.77 KCNH2 (0.37) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL25773312 0.75 CA2 (0.34) CA2GABRA1GABRB2OPRK1HSP90AA1
SCHEMBL21237202 0.74 CREBBP (0.37) CA2GABRA1GABRB2TDP1OPRK1
SCHEMBL8136380 0.74 ALDH1A1 (0.45) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL23181519 0.72 MAOA (0.42) MAOAMAOBADRA2AADRA2BADRA2C

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-20230119740-A1 THERAPEUTIC COMPOUNDS AND METHODS GENENTECH, INC. (US) 2023-04-20 — — US disclosed
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 — — US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 — — US disclosed
WO-2018081285-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-05-03 — — 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-20230119740-A1 THERAPEUTIC COMPOUNDS AND METHODS PCK1, SLC5A1, PFKFB1 MAOA 3931/4885MAOB 3813/4885CA2 703/4885
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 MAOA 3834/4885MAOB 3740/4885CA2 2302/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 MAOA 3834/4885MAOB 3740/4885CA2 2302/4885

“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.