SCHEMBL2821458

SCHEMBL2821458

CCCn1nc(Cc2ccc(C)cc2)cc1C(OC(=O)c1ccc(SC(C)(C)C(=O)O)cc1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
HPGD P15428 5/20 0.37
CYP2C9 P11712 4/20 0.37
KDM4E B2RXH2 4/20 0.37
KMT2A Q03164 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 2/20 0.37
CYP1A2 P05177 2/20 0.37
MAPT P10636 3/20 0.36
CYP2D6 P10635 1/20 0.36
HDAC6 Q9UBN7 5/20 0.35
HDAC3 O15379 4/20 0.35
HDAC4 P56524 4/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC7 Q8WUI4 4/20 0.35
HDAC2 Q92769 4/20 0.35
HDAC10 Q969S8 4/20 0.35
HDAC11 Q96DB2 4/20 0.35
HDAC8 Q9BY41 4/20 0.35

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
SCHEMBL2821960 1.00 ALDH1A1 (0.37) ALDH1A1HPGDCYP2C9KDM4EKMT2A
SCHEMBL2821457 1.00 ALDH1A1 (0.37) ALDH1A1HPGDCYP2C9KDM4EKMT2A
SCHEMBL2820153 0.90 ALDH1A1 (0.37) ALDH1A1HPGDCYP2C9KDM4EKMT2A
SCHEMBL2820147 0.90 ALDH1A1 (0.37) ALDH1A1HPGDCYP2C9KDM4EKMT2A
SCHEMBL2821913 0.90 ALDH1A1 (0.37) ALDH1A1HPGDCYP2C9KDM4EKMT2A
SCHEMBL2821856 0.86 PPARA (0.46) ALDH1A1HPGDCYP2C9KDM4EKMT2A
SCHEMBL2818860 0.86 PPARA (0.46) ALDH1A1HPGDCYP2C9KDM4EKMT2A
SCHEMBL2818856 0.86 PPARA (0.46) ALDH1A1HPGDCYP2C9KDM4EKMT2A
SCHEMBL2821656 0.81 TBXAS1 (0.36) ALDH1A1HPGDCYP2C9KDM4EKMT2A
SCHEMBL2820637 0.80 PPARA (0.46) KMT2AHDAC6HDAC3HDAC4HDAC1

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

“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.