SCHEMBL16985368

SCHEMBL16985368

CS(=O)(=O)OC1CCC(n2cc([N+](=O)[O-])cn2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.31
CYP19A1 P11511 3/20 0.31
F2 P00734 2/20 0.30
PLAU P00749 2/20 0.30
ELANE P08246 2/20 0.30
MEN1 O00255 2/20 0.30
CYP2D6 P10635 2/20 0.30
TSHR P16473 2/20 0.30
KMT2A Q03164 2/20 0.30
LMNA P02545 1/20 0.30
PMP22 Q01453 1/20 0.30
SLC6A2 P23975 1/20 0.30
ACHE P22303 1/20 0.30
HTR3A P46098 1/20 0.30
PTGES O14684 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL29906437 0.81 NAAA (0.34) MEN1CYP2D6TSHRKMT2ALMNA
SCHEMBL28842213 0.81 NAAA (0.34) MEN1CYP2D6TSHRKMT2ALMNA
SCHEMBL28842214 0.81 NAAA (0.34) MEN1CYP2D6TSHRKMT2ALMNA
SCHEMBL23612287 0.81 GSK3B (0.31)
SCHEMBL22089935 0.79 POLB (0.36) POLBL3MBTL1F2PLAUELANE
SCHEMBL174612 0.78 F2 (0.41) POLBL3MBTL1F2PLAUELANE
SCHEMBL16513469 0.78 F2 (0.38) POLBL3MBTL1F2PLAUELANE
SCHEMBL15312568 0.76 POLB (0.43) POLBL3MBTL1F2PLAUELANE
SCHEMBL16985367 0.76 PKM (0.34) POLBL3MBTL1MEN1CYP2D6TSHR
SCHEMBL17199450 0.74 F2 (0.39) POLBL3MBTL1F2PLAUELANE

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-20170015668-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-19 US disclosed
US-20170015668-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-19 US disclosed
WO-2015113452-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-08-06 WO 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-20170015668-A1 COMPOUNDS LRRK2, PARK7, PINK1 POLB 1065/4885L3MBTL1 491/4885CYP19A1 4785/4885

“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.