SCHEMBL13860784

SCHEMBL13860784

O=C(O)C(F)(F)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
ABCC9 O60706 2/20 0.51
ABCC8 Q09428 2/20 0.51
KCNJ11 Q14654 2/20 0.51
KCNJ8 Q15842 2/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MITF O75030 1/20 0.49
LMNA P02545 1/20 0.47
ALOX12 P18054 1/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
XBP1 P17861 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TGM2 P21980 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL12762081 0.92 L3MBTL1 (0.52) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL5549558 0.82 CA12 (0.59) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL30249175 0.80 HDAC1 (0.53) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL29054792 0.80 ALDH1A1 (0.55) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL20216834 0.79 MEN1 (0.54) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL26624049 0.78 ABCC9 (0.57) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL72846 0.76 L3MBTL1 (0.79) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL6928350 0.76 MEN1 (0.61) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL26624042 0.76 CA1 (0.56) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL26626327 0.76 ALDH1A1 (0.50) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531532-B2 Hepatocyte growth factor receptor inhibitors; Antitumor agents, anticarcinogenic agents, angiogenesis inhibitors; pyrimidine derivatives like Pyrrolidine-1-carboxylic acid [6-(2-fluoro-4-{3-[2-(4-fluorophenyl)acetyl]thioureido}phenoxy)pyrimidin-4-yl]amide EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-05-12 US disclosed
US-7531532-B2 Hepatocyte growth factor receptor inhibitors; Antitumor agents, anticarcinogenic agents, angiogenesis inhibitors; pyrimidine derivatives like Pyrrolidine-1-carboxylic acid [6-(2-fluoro-4-{3-[2-(4-fluorophenyl)acetyl]thioureido}phenoxy)pyrimidin-4-yl]amide EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-05-12 US disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 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-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) HGF, MET, FLT1 ALDH1A1 557/4885ABCC9 671/4885ABCC8 1089/4885

“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.