SCHEMBL4209246

SCHEMBL4209246

Cc1c(CC(=O)O)c2ccccc2n1C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.72
PTGS1 P23219 3/20 0.72
PTGS2 P35354 3/20 0.72
AKR1C3 P42330 10/20 0.70
AKR1C2 P52895 9/20 0.70
LMNA P02545 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C9 P11712 2/20 0.56
HIF1A Q16665 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
PTGIR P43119 1/20 0.51
PTGDR2 Q9Y5Y4 2/20 0.50
AKR1C4 P17516 2/20 0.50
AKR1C1 Q04828 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
PTGES O14684 1/20 0.50

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
SCHEMBL13802394 0.89 AKR1C3 (0.66) ABCB1PTGS1PTGS2AKR1C3AKR1C2
SCHEMBL13802260 0.87 AKR1C3 (0.79) ABCB1PTGS1PTGS2AKR1C3AKR1C2
Delmetacin SCHEMBL286727 0.87 ABCB1 (0.82) ABCB1PTGS1PTGS2AKR1C3AKR1C2
SCHEMBL13802409 0.86 ABCB1 (0.81) ABCB1PTGS1PTGS2AKR1C3AKR1C2
SCHEMBL4205369 0.86 ABCB1 (0.69) ABCB1PTGS1PTGS2AKR1C3AKR1C2
SCHEMBL4205274 0.85 ABCB1 (0.68) ABCB1PTGS1PTGS2AKR1C3AKR1C2
SCHEMBL3002228 0.85 AKR1C3 (0.76) ABCB1PTGS1PTGS2AKR1C3AKR1C2
SCHEMBL6206650 0.85 ABCB1 (0.79) ABCB1PTGS1PTGS2AKR1C3AKR1C2
SCHEMBL2237296 0.84 ABCB1 (1.00) ABCB1PTGS1PTGS2AKR1C3AKR1C2
SCHEMBL6206463 0.84 ABCB1 (0.77) ABCB1PTGS1PTGS2AKR1C3AKR1C2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 ABCB1 139/4885PTGS1 2198/4885PTGS2 2066/4885

“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.