SCHEMBL2821311

SCHEMBL2821311

CC(C)(Sc1ccc(C(=O)O[C@@H](c2cn(Cc3ccc(C(F)(F)F)cc3)nn2)C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.39
TGM2 P21980 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
EPHB4 P54760 2/20 0.35
TEK Q02763 2/20 0.35
KDR P35968 1/20 0.35
MAPT P10636 1/20 0.35
PTGER4 P35408 3/20 0.35
S1PR1 P21453 1/20 0.35
PDE6D O43924 1/20 0.35
TBXA2R P21731 1/20 0.35
PTGS2 P35354 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 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
SCHEMBL2819914 1.00 TBXAS1 (0.39) TBXAS1TGM2HDAC1HDAC6EPHB4
SCHEMBL2819917 1.00 TBXAS1 (0.39) TBXAS1TGM2HDAC1HDAC6EPHB4
SCHEMBL2821580 0.92 TBXAS1 (0.40) TBXAS1HDAC1S1PR1TBXA2R
SCHEMBL2821577 0.92 TBXAS1 (0.40) TBXAS1HDAC1S1PR1TBXA2R
SCHEMBL2822569 0.92 TBXAS1 (0.40) TBXAS1HDAC1S1PR1TBXA2R
SCHEMBL2821431 0.90 TBXAS1 (0.40) TBXAS1TGM2HDAC1EPHB4TEK
SCHEMBL2826183 0.90 TBXAS1 (0.40) TBXAS1TGM2HDAC1EPHB4TEK
SCHEMBL2821434 0.90 TBXAS1 (0.40) TBXAS1TGM2HDAC1EPHB4TEK
SCHEMBL2822829 0.85 HDAC1 (0.42) TBXAS1TGM2HDAC1EPHB4TEK
SCHEMBL2819643 0.85 HDAC1 (0.42) TBXAS1TGM2HDAC1EPHB4TEK

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 3 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

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 444/4885TGM2 484/4885HDAC1 1167/4885

“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.