SCHEMBL921182

SCHEMBL921182

Cn1c(=O)c2c(c(C(=O)OC(C)(C)C)c(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cc(F)ccc2Cl)n(C)c1=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.47
FAP Q12884 2/20 0.42
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 2/20 0.41
KDM4D Q6B0I6 1/20 0.40
JAK3 P52333 1/20 0.39
BTK Q06187 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAP4K4 O95819 2/20 0.39

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
SCHEMBL3899419 0.88 DPP4 (0.45) DPP4KDM4D
SCHEMBL7975438 0.87 DPP4 (0.47) DPP4FAPCYP3A4CYP2D6CYP1A2
SCHEMBL3899886 0.87 DPP4 (0.47) DPP4FAP
SCHEMBL3905904 0.86 DPP4 (0.45) DPP4JAK3BTK
SCHEMBL3897385 0.86 DPP4 (0.44) DPP4JAK3BTK
SCHEMBL3898788 0.86 DPP4 (0.44) DPP4FAPKDM4DJAK3BTK
SCHEMBL13647359 0.85 DPP4 (0.57) DPP4FAPCYP3A4CYP2D6KDM4D
SCHEMBL13647447 0.85 DPP4 (0.45) DPP4
SCHEMBL12906374 0.85 DPP4 (0.46) DPP4FAPKDM4DJAK3BTK
SCHEMBL13647462 0.85 DPP4 (0.45) DPP4FAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009433-A1 BICYCLIC PYRROLE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-01-13 US disclosed
US-20110009433-A1 BICYCLIC PYRROLE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-01-13 US disclosed
EP-2264034-A1 BICYCLIC PYRROLE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-12-22 EP 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 (1 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-20110009433-A1 BICYCLIC PYRROLE COMPOUND HPD, DPYD, PPIP5K2 DPP4 907/4885FAP 1057/4885CYP3A4 379/4885

“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.