SCHEMBL269380

SCHEMBL269380

Cc1ccccc1C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)Cc1ncccc1C(=O)NC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 3/20 0.38
JAK2 O60674 2/20 0.38
S1PR4 O95977 2/20 0.38
HPGD P15428 2/20 0.38
XBP1 P17861 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSP90AA1 P07900 1/20 0.38
THRB P10828 1/20 0.38
ANO1 Q5XXA6 1/20 0.38
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
S1PR1 P21453 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL269379 1.00 KLK5 (0.38) KLK5SMN1; SMN2LMNAJAK2S1PR4
SCHEMBL270683 0.90 HTT (0.37) KLK5SMN1; SMN2LMNAJAK2S1PR4
SCHEMBL268318 0.90 CTSS (0.44) KLK5SMN1; SMN2LMNAANO1SCN9A
SCHEMBL268317 0.90 CTSS (0.44) KLK5SMN1; SMN2LMNAANO1SCN9A
SCHEMBL268980 0.88 KLK5 (0.40) KLK5SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL268704 0.86 SCN9A (0.43) KLK5SMN1; SMN2ANO1SCN9ACTSS
SCHEMBL268240 0.85 SCN9A (0.36) KLK5SMN1; SMN2ANO1SCN9ACTSS
SCHEMBL268772 0.85 SCN9A (0.44) KLK5SMN1; SMN2ANO1SCN9ASGMS2
SCHEMBL268823 0.84 KLK5 (0.36) KLK5SMN1; SMN2HPGDALDH1A1ANO1
SCHEMBL269138 0.84 KLK5 (0.43) KLK5SMN1; SMN2LMNAJAK2S1PR4

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-8133907-B2 Type II diabetes, obesity, hyperglycemia and a lipid disorder selected from dyslipidemia, hyperlipidemia, hypertriglyceridemia, hypercholesterolemia, low HDL and high LDL; additionally comprising metformin ELI LILLY AND COMPANY (US) 2012-03-13 US disclosed
EP-1912946-B1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS LILLY CO ELI (US) 2009-05-27 EP disclosed
US-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors ELI LILLY AND COMPANY 2008-09-04 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 (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-20080214616-A1 Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors DPP4, DPP3, DPP7 KLK5 3015/4885SMN1; SMN2 4330/4885LMNA 4670/4885

“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.