SCHEMBL3221540

SCHEMBL3221540

O=C(Nc1c(Cl)cccc1CO)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 3/20 0.51
PDK2 Q15119 3/20 0.51
PDK3 Q15120 3/20 0.51
PDK4 Q16654 3/20 0.51
PTGS2 P35354 3/20 0.42
TRPV1 Q8NER1 1/20 0.40
PTGS1 P23219 2/20 0.40
AKR1B10 O60218 1/20 0.40
UGT1A9 O60656 1/20 0.40
TRPA1 O75762 1/20 0.40
ABCB11 O95342 1/20 0.40
MT-CO2 P00403 1/20 0.40
TTR P02766 1/20 0.40
ALB P02768 1/20 0.40
CXCL8 P10145 1/20 0.40
UGT1A6 P19224 1/20 0.40
UGT1A1 P22309 1/20 0.40
CXCR1 P25024 1/20 0.40
ADRA1A P35348 1/20 0.40
AGTR2 P50052 1/20 0.40

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
SCHEMBL1179119 0.85 PDK1 (0.67) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL2211292 0.84 PDK1 (0.51) PDK1PDK2PDK3PDK4PTGS2
SCHEMBL5730241 0.82 PDK1 (0.50) PDK1PDK2PDK3PDK4PTGS2
SCHEMBL5730232 0.81 PDK1 (0.49) PDK1PDK2PDK3PDK4PTGS2
SCHEMBL27724747 0.80 PTGS2 (0.47) PTGS2PTGS1AKR1B10UGT1A9TRPA1
SCHEMBL15569990 0.79 PDK1 (0.55) PDK1PDK2PDK3PDK4PTGS2
SCHEMBL4473255 0.78 ALDH1A1 (0.51) PTGS2PTGS1AKR1B10UGT1A9TRPA1
SCHEMBL14416594 0.76 TSHR (0.46) PTGS2PTGS1AKR1B10UGT1A9TRPA1
SCHEMBL12512366 0.76 POLB (0.45) PTGS2PTGS1AKR1B10UGT1A9TRPA1
SCHEMBL647689 0.75 LCK (0.49) PDK1PDK2PDK3PDK4KCNJ5

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
WO-2010012397-A1 N-(INDOL-3-YLALKYL)(HETERO)ARYLAMIDE DERIVATIVES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 WO disclosed
US-20100029598-A1 Extended Benzamide Derivatives as Modulators of the EP2 Receptor BAYER SCHERING PHARMA AG (DE) 2010-02-04 US disclosed
EP-2149551-A1 N-(indol-3-ylalkyl)-(hetero)arylamid derivatives as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2010-02-03 EP 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-20100029598-A1 Extended Benzamide Derivatives as Modulators of the EP2 Receptor PTGER2, PTGER1, PTGDR2 PDK1 1842/4885PDK2 642/4885PDK3 1744/4885

“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.