SCHEMBL17867671

SCHEMBL17867671

CNC(=O)C1CC(F)(F)CN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.36
OPRM1 P35372 2/20 0.33
OPRK1 P41145 1/20 0.33
DPP4 P27487 2/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
PSMB9 P28065 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
SCHEMBL27089326 0.80 DPP4 (0.33) OPRM1OPRK1DPP4DPP8DPP7
SCHEMBL27089331 0.80 DPP4 (0.33) OPRM1OPRK1DPP4DPP8DPP7
SCHEMBL3512916 0.80 GRM2 (0.36) DPP4
SCHEMBL4254372 0.80 GRM2 (0.36) DPP4
SCHEMBL6919995 0.80 GRM2 (0.36) DPP4
SCHEMBL3012517 0.79 PEPD (0.39) DPP4DPP8DPP7
SCHEMBL16400475 0.79 HDAC8 (0.42) ENPP2
SCHEMBL16400473 0.79 HDAC8 (0.42) ENPP2
SCHEMBL22541605 0.77 ENPP2 (0.33) ENPP2
SCHEMBL15129890 0.77 CNR2 (0.41) OPRM1OPRK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022202-B1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE NOVARTIS AG (CH) 2019-05-15 EP disclosed
US-10183025-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2019-01-22 US disclosed
US-20180021345-A1 AUTOTAXIN INHIBITORS NOVARTIS AG (CH) 2018-01-25 US disclosed
US-9763957-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2017-09-19 US disclosed
US-20160184318-A1 AUTOTAXIN INHIBITORS NOVARTIS AG (CH) 2016-06-30 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 (3 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-20160184318-A1 AUTOTAXIN INHIBITORS ENPP2, SERPINB1, TFPI ENPP2 1/4885OPRM1 4449/4885OPRK1 4444/4885
US-20180021345-A1 AUTOTAXIN INHIBITORS ENPP2, SERPINB1, TFPI ENPP2 1/4885OPRM1 4449/4885OPRK1 4444/4885
US-10183025-B2 Autotaxin inhibitors ENPP2, SERPINB1, TFPI ENPP2 1/4885OPRM1 4449/4885OPRK1 4444/4885

“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.