SCHEMBL439802

SCHEMBL439802

CC(C)[C@@H](C)Cc1c(F)c(F)cc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.39
TRPA1 O75762 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL13173829 0.81 DPP4 (0.38) DPP4KDM4EALDH1A1MAPTHTT
SCHEMBL3468943 0.77 DPP4 (0.35) DPP4
SCHEMBL10181890 0.77 DPP4 (0.35) DPP4
SCHEMBL3459590 0.77 PDE2A (0.36) DPP4KDM4EMAPT
SCHEMBL438633 0.77 DPP4 (0.44) DPP4
SCHEMBL441523 0.77 PDE2A (0.36) DPP4KDM4EMAPT
SCHEMBL439681 0.77 DPP4 (0.44) DPP4
SCHEMBL439586 0.72 RIPK1 (0.39) DPP4TRPA1
SCHEMBL452322 0.71 CA12 (0.36) DPP4
SCHEMBL452323 0.71 CA12 (0.36) DPP4

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 2274/4885TRPA1 4860/4885KDM4E 1033/4885
US-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 DPP4 2274/4885TRPA1 4860/4885KDM4E 1033/4885

“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.