SCHEMBL453474

SCHEMBL453474

Cc1ccc(F)cc1CC(C)OS(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.37
DPP7 Q9UHL4 3/20 0.37
DPP9 Q86TI2 2/20 0.37
DPP8 Q6V1X1 1/20 0.37
SLC6A4 P31645 7/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A3 Q01959 4/20 0.35
NR3C1 P04150 3/20 0.34
AKT1 P31749 2/20 0.33
MEP1B Q16820 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2A P28223 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MMP1 P03956 1/20 0.32
MMP13 P45452 1/20 0.32
ADAM17 P78536 1/20 0.32
NR3C2 P08235 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
SCHEMBL438621 1.00 DPP4 (0.37) DPP4DPP7DPP9DPP8SLC6A4
SCHEMBL441143 0.86 DPP4 (0.49) DPP4DPP7DPP9DPP8
SCHEMBL452978 0.86 DPP4 (0.49) DPP4DPP7DPP9DPP8
SCHEMBL28572268 0.76 TRPA1 (0.44)
SCHEMBL13647174 0.75 SLC6A4 (0.39) DPP4SLC6A4SLC6A2SLC6A3AKT1
SCHEMBL5682058 0.73 LMNA (0.42)
SCHEMBL11042068 0.73 PSMB5 (0.38) KCNH2
SCHEMBL16629394 0.73 PSEN1 (0.38) MEP1B
SCHEMBL4861107 0.72 HTT (0.44) SLC6A4SLC6A2SLC6A3KCNH2KDM4E
SCHEMBL441589 0.72 SLC6A4 (0.36) DPP4DPP9SLC6A4AKT1HTR2C

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-9273055-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-03-01 US disclosed
US-20150038536-A1 TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-02-05 US disclosed
US-8822500-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-09-02 US disclosed
US-20120065233-A1 TYROSINE KINASE INHIBITORS GREGOR VLAD EDWARD (US) 2012-03-15 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 (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-20150038536-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 DPP4 2274/4885DPP7 1205/4885DPP9 1283/4885
US-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 DPP4 2274/4885DPP7 1205/4885DPP9 1283/4885

“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.