SCHEMBL10009833

SCHEMBL10009833

COc1ccc([N+](=O)[O-])c(Nc2cccc3c2OC[C@H]3N(C(=O)C(F)(F)F)c2ccc3c(c2)OC[C@H]3CC(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C1 Q04828 1/20 0.41
PPARD Q03181 14/20 0.38
FFAR1 O14842 14/20 0.38
PPARG P37231 13/20 0.38
PPARA Q07869 1/20 0.36

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
SCHEMBL10009839 1.00 AKR1C3 (0.41) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL10010671 0.91 PPARG (0.35) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1
SCHEMBL10011668 0.91 PPARG (0.35) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1
SCHEMBL10011672 0.91 PPARG (0.35) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1
SCHEMBL10010677 0.91 PPARG (0.35) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1
SCHEMBL10009327 0.89 PPARG (0.36) PPARDFFAR1PPARGPPARA
SCHEMBL10009325 0.89 PPARG (0.36) PPARDFFAR1PPARGPPARA
SCHEMBL10009366 0.89 FFAR1 (0.39) PPARDFFAR1PPARGPPARA
SCHEMBL1708211 0.88 FFAR1 (0.35) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL1708308 0.88 AKR1C3 (0.41) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4

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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R AKR1C3 2792/4885AKR1C2 2268/4885AKR1B10 1464/4885

“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.