SCHEMBL632759

SCHEMBL632759

CC(C)(C)OC(=O)C(=O)OC(=O)[C@@H]1CCCN1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.35
SCN3A Q9NY46 1/20 0.35
SCN5A Q14524 1/20 0.35
DPP4 P27487 8/20 0.35
DPP8 Q6V1X1 5/20 0.35
DPP9 Q86TI2 4/20 0.35
FAP Q12884 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
NOS2 P35228 2/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
PRCP P42785 1/20 0.34
SCN4A P35499 1/20 0.33

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
SCHEMBL419515 0.85 SCN9A (0.36) SCN9ASCN3ASCN5ADPP4DPP8
SCHEMBL4566138 0.85 SCN9A (0.36) SCN9ASCN3ASCN5ADPP4DPP8
SCHEMBL2646342 0.85 SCN9A (0.36) SCN9ASCN3ASCN5ADPP4DPP8
SCHEMBL248747 0.84 NOS2 (0.39) SCN9ASCN3ASCN5ADPP4DPP8
SCHEMBL248746 0.84 NOS2 (0.39) SCN9ASCN3ASCN5ADPP4DPP8
SCHEMBL40093 0.84 NOS2 (0.39) SCN9ASCN3ASCN5ADPP4DPP8
SCHEMBL20492529 0.84 SCN9A (0.35) SCN9ASCN3ASCN5ADPP4DPP8
Hydrochloric Acid SCHEMBL661790 0.83 NOS2 (0.38) SCN9ASCN3ASCN5ADPP4DPP8
Hydrochloric Acid SCHEMBL596114 0.83 NOS2 (0.38) SCN9ASCN3ASCN5ADPP4DPP8
Hydrochloric Acid SCHEMBL661789 0.83 NOS2 (0.38) SCN9ASCN3ASCN5ADPP4DPP8

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
EP-2093228-B1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TIANJIN HEMAY BIO TECH CO LTD (CN) 2012-02-22 EP disclosed
US-20100152240-A1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF ZHANG HESHENG 2010-06-17 US disclosed
EP-2093228-A1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF Tianjin Hemey Bio-Tech Co., Ltd. (CN) 2009-08-26 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-20100152240-A1 PYRROLINE-2-ONE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TNF, IL1B, CYC1 SCN9A 2351/4885SCN3A 1076/4885SCN5A 2181/4885

“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.