SCHEMBL2819643

SCHEMBL2819643

CC(C)(Sc1ccc(C(=O)OC(Cc2cn(Cc3ccc(C(F)(F)F)cc3)nn2)C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.42
TBXAS1 P24557 2/20 0.38
HSP90AB1 P08238 2/20 0.38
KDM1A O60341 2/20 0.38
TGM2 P21980 1/20 0.37
PTGS2 P35354 1/20 0.35
SRPK1 Q96SB4 1/20 0.35
EPHB4 P54760 2/20 0.34
TEK Q02763 2/20 0.34
KDR P35968 1/20 0.34
S1PR1 P21453 1/20 0.34
PDE6D O43924 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
SCHEMBL2822829 1.00 HDAC1 (0.42) HDAC1TBXAS1HSP90AB1KDM1ATGM2
SCHEMBL2819640 1.00 HDAC1 (0.42) HDAC1TBXAS1HSP90AB1KDM1ATGM2
SCHEMBL2823576 0.95 HDAC1 (0.42) HDAC1TBXAS1HSP90AB1KDM1A
SCHEMBL2822603 0.95 HDAC1 (0.42) HDAC1TBXAS1HSP90AB1KDM1A
SCHEMBL2822601 0.95 HDAC1 (0.42) HDAC1TBXAS1HSP90AB1KDM1A
SCHEMBL2820658 0.91 HDAC1 (0.42) HDAC1TBXAS1HSP90AB1KDM1ATGM2
SCHEMBL2819671 0.91 HDAC1 (0.42) HDAC1TBXAS1HSP90AB1KDM1ATGM2
SCHEMBL2819673 0.91 HDAC1 (0.42) HDAC1TBXAS1HSP90AB1KDM1ATGM2
SCHEMBL2821382 0.85 ALOX5 (0.47) HDAC1TBXAS1HSP90AB1KDM1ATGM2
SCHEMBL2821311 0.85 TBXAS1 (0.39) HDAC1TBXAS1TGM2PTGS2EPHB4

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 HDAC1 1167/4885TBXAS1 444/4885HSP90AB1 937/4885

“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.