Sugi Predict

Sugi Predict / Compounds / SCHEMBL2821656

SCHEMBL2821656

SCHEMBL2821656

CCCn1nc(Cc2ccc(C)cc2)cc1COC(=O)c1ccc(SC(C)(C)C(=O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP2C9 P11712 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ PPARG P37231 4/20 0.35
▸ PPARA Q07869 4/20 0.35
▸ MAPT P10636 6/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ PPARD Q03181 2/20 0.34

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
SCHEMBL2820072 0.91 ALDH1A1 (0.35) L3MBTL1POLBTSHRALDH1A1CYP2C9
SCHEMBL2819988 0.86 SMN1; SMN2 (0.41) L3MBTL1POLBTSHRALDH1A1CYP2C9
SCHEMBL2820147 0.86 ALDH1A1 (0.37) TBXAS1POLBALDH1A1CYP2C9HPGD
SCHEMBL2821913 0.86 ALDH1A1 (0.37) TBXAS1POLBALDH1A1CYP2C9HPGD
SCHEMBL2820153 0.86 ALDH1A1 (0.37) TBXAS1POLBALDH1A1CYP2C9HPGD
SCHEMBL2821602 0.85 PPARA (0.49) PPARGPPARAPPARD
SCHEMBL3465068 0.83 THRB (0.38) L3MBTL1POLBTSHRALDH1A1CYP2C9
SCHEMBL3467076 0.83 THRB (0.36) L3MBTL1POLBTSHRALDH1A1CYP2C9
SCHEMBL2821457 0.81 ALDH1A1 (0.37) TBXAS1ALDH1A1CYP2C9HPGDKDM4E
SCHEMBL2821458 0.81 ALDH1A1 (0.37) TBXAS1ALDH1A1CYP2C9HPGDKDM4E

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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 — — US claimed
WO-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 — — WO claimed
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 — — US disclosed
WO-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 — — 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 (1 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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA PPARA, PPARD, PPARG TBXAS1 444/4885L3MBTL1 4855/4885POLB 598/4885

“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.