SCHEMBL2517777

SCHEMBL2517777

CCC(SC1CC2OC1N2c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.32
▸ AKR1C2 P52895 2/20 0.32
▸ FFAR4 Q5NUL3 3/20 0.32

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
SCHEMBL14300742 0.79 FFAR4 (0.37) FFAR4
SCHEMBL1410200 0.70 DPP4 (0.45) FFAR4
SCHEMBL1410108 0.70 FFAR4 (0.37) AKR1C3AKR1C2FFAR4
SCHEMBL1410243 0.63 NOTUM (0.57) —
SCHEMBL1410358 0.60 FFAR4 (0.48) FFAR4
SCHEMBL8692384 0.58 AKR1C3 (0.63) AKR1C3AKR1C2
SCHEMBL6549986 0.57 PPARG (0.53) —
Hydrochloric Acid SCHEMBL6548048 0.56 PPARG (0.52) —
SCHEMBL1295801 0.55 AKR1C3 (0.40) AKR1C3AKR1C2
SCHEMBL10936223 0.55 SMN1; SMN2 (0.54) AKR1C3AKR1C2

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-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 — — 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-20110251187-A1 HETEROCYCLIC COMPOUND NES, BMI1, DOT1L AKR1C3 1630/4885AKR1C2 1043/4885FFAR4 4589/4885

“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.

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