SCHEMBL373837

SCHEMBL373837

COc1cc2c(Oc3ccc(NC(=O)O)cc3F)ccnc2cc1OCCCO

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 12/20 0.64
PDGFRA P16234 1/20 0.62
KDR P35968 4/20 0.61
FLT3 P36888 6/20 0.61
AXL P30530 2/20 0.61
HDAC2 Q92769 2/20 0.61
HDAC8 Q9BY41 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
RET P07949 1/20 0.61
PDGFRB P09619 1/20 0.61
KIT P10721 1/20 0.61
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
FGFR2 P21802 1/20 0.60

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
SCHEMBL374110 0.89 AXL (0.65) METPDGFRAKDRFLT3AXL
SCHEMBL374061 0.84 PDGFRA (0.63) METPDGFRAKDRFLT3AXL
SCHEMBL2744790 0.83 PDGFRA (0.69) METPDGFRAKDRFLT3AXL
SCHEMBL5056203 0.83 PDGFRA (0.72) METPDGFRAKDRFLT3AXL
SCHEMBL5052345 0.83 PDGFRA (0.69) METPDGFRAKDRFLT3AXL
SCHEMBL20096036 0.83 MET (0.72) METPDGFRAKDRFLT3AXL
SCHEMBL371539 0.82 MET (0.70) METPDGFRAKDRAXLRET
SCHEMBL19373219 0.81 PDGFRA (0.69) METPDGFRAKDRFLT3AXL
SCHEMBL29693530 0.81 PDGFRA (0.64) METPDGFRAKDRFLT3AXL
SCHEMBL407651 0.81 PDGFRA (0.64) METPDGFRAKDRFLT3AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408300-B1 AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE SUNSHINE LAKE PHARMA CO LTD (CN) 2016-05-11 EP disclosed
US-8232294-B2 Amino ester derivatives, sailts thereof and methods of use Xi, Ning (US) 2012-07-31 US disclosed
EP-2408300-A1 AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE Sunshine Lake Pharma Co., Ltd (CN) 2012-01-25 EP disclosed
WO-2010111063-A1 AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE XI NING (US) 2010-09-30 WO disclosed
US-20100239576-A1 AMINO ESTER DERIVATIVES, SAILTS THEREOF AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2010-09-23 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-20100239576-A1 AMINO ESTER DERIVATIVES, SAILTS THEREOF AND METHODS OF USE SRC, BCAT1, BCAT2 MET 185/4885PDGFRA 423/4885KDR 958/4885

“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.