SCHEMBL439586

SCHEMBL439586

CC(C)[C@@H](C)Cc1cc(F)cc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 8/20 0.39
DPP4 P27487 4/20 0.36
ALOX15 P16050 4/20 0.34
ALOX12 P18054 4/20 0.34
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
TRPA1 O75762 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 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
SCHEMBL13647366 0.83 RIPK1 (0.41) RIPK1DPP4FAPDPP8DPP9
SCHEMBL455119 0.80 HTR2A (0.44) DPP4FAPDPP8DPP9DPP7
SCHEMBL3458357 0.80 RIPK1 (0.42) RIPK1DPP4FAPDPP8DPP9
SCHEMBL28026250 0.80 RIPK1 (0.42) RIPK1DPP4FAPDPP8DPP9
SCHEMBL806099 0.80 RIPK1 (0.39) RIPK1DPP4FAPDPP8DPP9
SCHEMBL438764 0.80 HTR2A (0.44) DPP4FAPDPP8DPP9DPP7
SCHEMBL10182854 0.78 RIPK1 (0.39) RIPK1DPP4FAPDPP8DPP9
SCHEMBL489929 0.76 RIPK1 (0.41) RIPK1CES2CES1
SCHEMBL24973732 0.76 IDO1 (0.46) RIPK1DPP4DPP7TRPA1
SCHEMBL439802 0.72 DPP4 (0.39) DPP4TRPA1

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 6 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-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-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 RIPK1 668/4885DPP4 2274/4885ALOX15 3145/4885
US-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 RIPK1 668/4885DPP4 2274/4885ALOX15 3145/4885

“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.