SCHEMBL2819648

SCHEMBL2819648

CC(C)(C)OC(=O)C(C)(C)Oc1ccc(C(=O)OCc2cn(Cc3ccc(C(F)(F)F)cc3)nn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.44
HSP90AB1 P08238 1/20 0.42
KDM1A O60341 6/20 0.41
PTGS2 P35354 1/20 0.40
PPARD Q03181 3/20 0.40
PPARA Q07869 3/20 0.40
ALOX5 P09917 1/20 0.39
TGM2 P21980 1/20 0.39
THRB P10828 1/20 0.38
MGAM O43451 1/20 0.38
SRPK1 Q96SB4 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38

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
SCHEMBL2821480 0.94 HSP90AB1 (0.44) HDAC1HSP90AB1KDM1APPARDPPARA
SCHEMBL2821425 0.93 HDAC1 (0.45) HDAC1HSP90AB1KDM1AALOX5MGAM
SCHEMBL2821368 0.91 KDM1A (0.49) HDAC1HSP90AB1KDM1AALOX5
SCHEMBL2819542 0.91 KDM1A (0.40) HDAC1HSP90AB1KDM1AALOX5MGAM
SCHEMBL2818885 0.90 PPARA (0.50) HDAC1HSP90AB1PTGS2PPARDPPARA
SCHEMBL2823580 0.90 POLB (0.47) HDAC1HSP90AB1KDM1AALOX5TUBB4A
SCHEMBL2822489 0.89 HSP90AB1 (0.49) HSP90AB1ALOX5THRBMGAM
SCHEMBL2820002 0.89 ALOX5 (0.41) HDAC1HSP90AB1KDM1AALOX5MGAM
SCHEMBL2821679 0.85 HDAC1 (0.43) HDAC1HSP90AB1KDM1APTGS2ALOX5
SCHEMBL2821397 0.83 PPARA (0.48) HSP90AB1PPARDPPARAALOX5MGAM

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 HDAC1 1167/4885HSP90AB1 937/4885KDM1A 4155/4885

“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.