SCHEMBL2822465

SCHEMBL2822465

Cc1ccc(Cn2cc(COC(=O)c3ccc(SC(C)(C)C(=O)OC(C)(C)C)cc3)nn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 11/20 0.48
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBA3E Q6PEY2 1/20 0.48
TUBA1A Q71U36 1/20 0.48
KDM1B Q8NB78 1/20 0.48
TUBA1C Q9BQE3 1/20 0.48
TUBB6 Q9BUF5 1/20 0.48
TUBB2B Q9BVA1 1/20 0.48
TUBB1 Q9H4B7 1/20 0.48
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALOX5 P09917 1/20 0.45

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
SCHEMBL2823774 0.92 KDM1A (0.49) KDM1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2821326 0.92 ALOX5 (0.44) KDM1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2825948 0.92 HDAC1 (0.44) KDM1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2826176 0.92 ALOX5 (0.53) KDM1APOLBL3MBTL1ALOX5CYP19A1
SCHEMBL2821679 0.90 HDAC1 (0.43) KDM1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2819631 0.90 POLB (0.51) KDM1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2820612 0.90 ALOX5 (0.42) KDM1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2822468 0.87 ALOX5 (0.40) KDM1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2819508 0.84 TSHR (0.36) KDM1ATUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2823580 0.84 POLB (0.47) KDM1ATUBB4ATUBBTUBA3CTUBA1B

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 4155/4885TUBB4A 1669/4885TUBB 2395/4885

“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.