SCHEMBL628083

SCHEMBL628083

NC(=O)c1cc(F)c(F)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.43
CES1 P23141 3/20 0.43
VNN1 O95497 2/20 0.39
PARP1 P09874 1/20 0.37
KIF11 P52732 1/20 0.37
MAOB P27338 1/20 0.36
ERN1 O75460 1/20 0.35
PTPN11 Q06124 1/20 0.35
DHODH Q02127 1/20 0.35
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
SLC9A1 P19634 1/20 0.33
CYP2C19 P33261 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 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
SCHEMBL1006336 0.90 PARP1 (0.41) CES2CES1VNN1PARP1KIF11
SCHEMBL29234172 0.85 CES1 (0.43) CES2CES1KIF11TAS1R3TAS1R1
SCHEMBL627998 0.82 CES2 (0.45) CES2CES1VNN1KIF11SMN1; SMN2
SCHEMBL29738542 0.82 CES2 (0.45) CES2CES1VNN1KIF11SMN1; SMN2
SCHEMBL1799276 0.81 CES2 (0.64) CES2CES1PARP1ERN1PTPN11
SCHEMBL28652802 0.81 KIF11 (0.51) CES2CES1KIF11MAOBTAS1R3
SCHEMBL5212933 0.80 ALDH1A1 (0.47) CES2CES1CYP3A4TAS1R3TAS1R1
Hydrochloric Acid SCHEMBL6831741 0.79 CES2 (0.61) CES2CES1PARP1ERN1PTPN11
SCHEMBL1004168 0.78 PARP1 (0.41) CES2CES1PARP1ERN1PTPN11
SCHEMBL13749764 0.78 ERN1 (0.41) CES2VNN1PARP1MAOBERN1

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-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (BM) 2012-03-29 US disclosed
EP-2419412-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (BM) 2012-02-22 EP disclosed
WO-2010120741-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (US) 2010-10-21 WO 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-20120077854-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) RBP4, RBP1, FABP4 CES2 4213/4885CES1 1651/4885VNN1 3731/4885

“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.