Sugi Predict

Sugi Predict / Compounds / SCHEMBL2947177

SCHEMBL2947177

SCHEMBL2947177

O=C(C(C(=O)c1cccc(C(O)CO)c1)=C1Nc2ccccc2N1)c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.43
▸ CES1 P23141 2/20 0.43
▸ MAPK14 Q16539 1/20 0.40
▸ GPR139 Q6DWJ6 1/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ KCNK3 O14649 1/20 0.35
▸ TSHR P16473 3/20 0.35
▸ USP2 O75604 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ PLA2G7 Q13093 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL2943148 1.00 CES2 (0.43) CES2CES1MAPK14GPR139PARP1
SCHEMBL2947996 0.94 MAPK14 (0.39) CES2CES1MAPK14GPR139TSHR
SCHEMBL2948013 0.94 MAPK14 (0.39) CES2CES1MAPK14GPR139TSHR
SCHEMBL2948367 0.94 MAPK14 (0.39) CES2CES1MAPK14GPR139TSHR
SCHEMBL12051724 0.90 MAPK14 (0.36) CES2CES1MAPK14MEN1KMT2A
SCHEMBL12051838 0.90 MAPK14 (0.36) CES2CES1MAPK14MEN1KMT2A
SCHEMBL2939933 0.89 MAPK14 (0.37) CES2CES1MAPK14
SCHEMBL2946482 0.88 CES2 (0.40) CES2CES1GPR139PARP1MEN1
SCHEMBL2941752 0.88 CES2 (0.40) CES2CES1GPR139PARP1MEN1
SCHEMBL2947107 0.86 MAPK14 (0.38) CES2CES1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076367-B2 Benzimidazolylidene propane-1,3-dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-12-13 — — US disclosed
US-20100173946-A1 BENZIMIDAZOLYLIDENE PROPANE-1,3-DIONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2010-07-08 — — US disclosed
US-7709519-B2 Benzimidazolylidene propane-1,3 dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-05-04 — — US disclosed
US-20090018177-A1 Propane-1,3-Dione Derivative or Salt Thereof ASTELLAS PHARMA INC. (JP) 2009-01-15 — — US disclosed
EP-1752452-A9 PROPANE-1,3-DIONE DERIVATIVE OR ITS SALT Astellas Pharma Inc. (JP) 2007-12-12 — — EP disclosed
EP-1752452-A1 PROPANE-1,3-DIONE DERIVATIVE OR ITS SALT Astellas Pharma Inc. (JP) 2007-02-14 — — 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 (2 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-20090018177-A1 Propane-1,3-Dione Derivative or Salt Thereof GPER1, GNRHR, AR CES2 4083/4885CES1 1983/4885MAPK14 2684/4885
US-20100173946-A1 BENZIMIDAZOLYLIDENE PROPANE-1,3-DIONE DERIVATIVE OR SALT THEREOF GPER1, GNRHR, AR CES2 4228/4885CES1 2243/4885MAPK14 2133/4885

“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.