SCHEMBL2820002

SCHEMBL2820002

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
KDM1A O60341 6/20 0.41
HSP90AB1 P08238 1/20 0.40
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
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
KDM1B Q8NB78 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
CYP19A1 P11511 5/20 0.35

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 0.91 HSP90AB1 (0.44) ALOX5KDM1AHSP90AB1TUBB4ATUBB
SCHEMBL2820224 0.91 ALOX5 (0.46) ALOX5KDM1AHSP90AB1CYP19A1POLB
SCHEMBL2821326 0.90 ALOX5 (0.44) ALOX5KDM1AHSP90AB1TUBB4ATUBB
SCHEMBL2820612 0.89 ALOX5 (0.42) ALOX5KDM1AHSP90AB1TUBB4ATUBB
SCHEMBL2819648 0.89 HDAC1 (0.44) ALOX5KDM1AHSP90AB1TUBB4ATUBB
SCHEMBL2821368 0.89 KDM1A (0.49) ALOX5KDM1AHSP90AB1CYP19A1HDAC1
SCHEMBL2823580 0.88 POLB (0.47) ALOX5KDM1AHSP90AB1TUBB4ATUBB
SCHEMBL2821425 0.87 HDAC1 (0.45) ALOX5KDM1AHSP90AB1TUBB4ATUBB
SCHEMBL2822489 0.87 HSP90AB1 (0.49) ALOX5HSP90AB1CYP19A1POLBL3MBTL1
SCHEMBL2819542 0.85 KDM1A (0.40) ALOX5KDM1AHSP90AB1TUBB4ATUBB

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 1 patent. 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

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 ALOX5 570/4885KDM1A 4155/4885HSP90AB1 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.