SCHEMBL2823774

SCHEMBL2823774

COc1ccc(Cn2cc(COC(=O)c3ccc(SC(C)(C)C(=O)OC(C)(C)C)cc3)nn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.49
CYP19A1 P11511 3/20 0.46
ALOX5 P09917 1/20 0.44
HDAC1 Q13547 1/20 0.43
HSP90AB1 P08238 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SNCA P37840 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40

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
SCHEMBL2820612 0.92 ALOX5 (0.42) KDM1ACYP19A1ALOX5HSP90AB1TUBB4A
SCHEMBL2822465 0.92 KDM1A (0.48) KDM1ACYP19A1ALOX5HDAC1HSP90AB1
SCHEMBL2821326 0.91 ALOX5 (0.44) KDM1ACYP19A1ALOX5HSP90AB1TUBB4A
SCHEMBL2825948 0.91 HDAC1 (0.44) KDM1AALOX5HDAC1HSP90AB1TUBB4A
SCHEMBL2826176 0.91 ALOX5 (0.53) KDM1ACYP19A1ALOX5HSP90AB1NPC1
SCHEMBL2821229 0.90 ALOX5 (0.48) KDM1ACYP19A1ALOX5HDAC1HSP90AB1
SCHEMBL2821679 0.90 HDAC1 (0.43) KDM1AALOX5HDAC1HSP90AB1TUBB4A
SCHEMBL2822468 0.88 ALOX5 (0.40) KDM1ACYP19A1ALOX5HDAC1HSP90AB1
SCHEMBL2821368 0.86 KDM1A (0.49) KDM1ACYP19A1ALOX5HDAC1HSP90AB1
SCHEMBL2820002 0.84 ALOX5 (0.41) KDM1ACYP19A1ALOX5HDAC1HSP90AB1

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 KDM1A 4155/4885CYP19A1 296/4885ALOX5 570/4885

“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.