SCHEMBL2820072

SCHEMBL2820072

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
CYP2C9 P11712 3/20 0.35
HPGD P15428 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 5/20 0.35
KDM4E B2RXH2 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.34
THRB P10828 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
ALKBH5 Q6P6C2 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL2821656 0.91 TBXAS1 (0.36) ALDH1A1CYP2C9HPGDMEN1KMT2A
SCHEMBL2822454 0.86 PPARA (0.40) ALDH1A1CYP2C9HPGDMEN1KMT2A
SCHEMBL2821602 0.80 PPARA (0.49) PPARGPPARA
SCHEMBL3465068 0.79 THRB (0.38) ALDH1A1CYP2C9HPGDMEN1KMT2A
SCHEMBL3467076 0.79 THRB (0.36) ALDH1A1CYP2C9HPGDMEN1KMT2A
SCHEMBL2819988 0.77 SMN1; SMN2 (0.41) ALDH1A1CYP2C9HPGDMEN1KMT2A
SCHEMBL2819448 0.77 NPC1 (0.35) ALDH1A1CYP2C9HPGDMAPTCYP2C19
SCHEMBL2820147 0.77 ALDH1A1 (0.37) ALDH1A1CYP2C9HPGDMEN1KMT2A
SCHEMBL2821913 0.77 ALDH1A1 (0.37) ALDH1A1CYP2C9HPGDMEN1KMT2A
SCHEMBL2820153 0.77 ALDH1A1 (0.37) ALDH1A1CYP2C9HPGDMEN1KMT2A

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-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 ALDH1A1 461/4885CYP2C9 1030/4885HPGD 205/4885

“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.