SCHEMBL452978

SCHEMBL452978

CC(Cc1cc(F)ccc1F)OS(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.49
DPP7 Q9UHL4 14/20 0.49
DPP9 Q86TI2 12/20 0.49
DPP8 Q6V1X1 8/20 0.49
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41

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
SCHEMBL441143 1.00 DPP4 (0.49) DPP4DPP7DPP9DPP8PSEN1
SCHEMBL438621 0.86 DPP4 (0.37) DPP4DPP7DPP9DPP8
SCHEMBL453474 0.86 DPP4 (0.37) DPP4DPP7DPP9DPP8
SCHEMBL5682058 0.81 LMNA (0.42)
SCHEMBL28572268 0.77 TRPA1 (0.44)
SCHEMBL3122351 0.75 DPP4 (0.52) DPP4DPP7DPP9DPP8
SCHEMBL3126529 0.75 DPP4 (0.52) DPP4DPP7DPP9DPP8
SCHEMBL8250509 0.74 DPP4 (0.50) DPP4DPP7DPP9DPP8PSEN1
SCHEMBL4861107 0.73 HTT (0.44)
SCHEMBL441587 0.72 ALDH1A1 (0.34)

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.