SCHEMBL451227

SCHEMBL451227

CC(O)Cc1cc(F)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.47
DPP9 Q86TI2 7/20 0.45
DPP7 Q9UHL4 7/20 0.43
DPP8 Q6V1X1 7/20 0.43
RIPK1 Q13546 1/20 0.41
CA3 P07451 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38

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
SCHEMBL439644 1.00 DPP4 (0.47) DPP4DPP9DPP7DPP8RIPK1
SCHEMBL24710052 0.84 IDO1 (0.46) DPP4DPP7RIPK1
SCHEMBL28762819 0.84 IDO1 (0.46) DPP4DPP7RIPK1
SCHEMBL8250509 0.83 DPP4 (0.50) DPP4DPP9DPP7DPP8RIPK1
SCHEMBL451846 0.82 SLC6A4 (0.36) DPP4DPP9
SCHEMBL20958081 0.82 GABRA1 (0.47) CA3CA6CA5ACA9CA14
SCHEMBL441589 0.82 SLC6A4 (0.36) DPP4DPP9
SCHEMBL3459241 0.81 ALOX15 (0.39) DPP4DPP9
SCHEMBL16986776 0.81 ALOX15 (0.39) DPP4DPP9
SCHEMBL3459078 0.81 ALOX15 (0.39)

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 2274/4885DPP9 1283/4885DPP7 1205/4885
US-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 DPP4 2274/4885DPP9 1283/4885DPP7 1205/4885

“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.