SCHEMBL1840941

SCHEMBL1840941

CCCCCc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.39
ITGAV P06756 3/20 0.38
ITGB6 P18564 2/20 0.38
FGFR4 P22455 3/20 0.37
CTSK P43235 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GPR119 Q8TDV5 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
ESR2 Q92731 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BRD4 O60885 1/20 0.34
ITGB3 P05106 1/20 0.34
NR1H2 P55055 1/20 0.34
KDM1A O60341 1/20 0.34
AVPR2 P30518 1/20 0.34

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
SCHEMBL12807163 0.97 MPO (0.38) MPOITGAVITGB6FGFR4CTSK
SCHEMBL24908851 0.97 MPO (0.39) MPOITGAVITGB6FGFR4CTSK
SCHEMBL21328581 0.91 MPO (0.39) MPOITGAVITGB6FGFR4GPR119
SCHEMBL20481168 0.90 MPO (0.38) MPOITGAVITGB6FGFR4GPR119
SCHEMBL19953719 0.90 MPO (0.39) MPOITGAVITGB6FGFR4GPR119
SCHEMBL22223394 0.89 ITGAV (0.40) MPOITGAVITGB6GPR119ITGB3
SCHEMBL30474548 0.89 ITGAV (0.40) MPOITGAVITGB6GPR119ITGB3
SCHEMBL1820889 0.89 GPR119 (0.38) MPOITGAVITGB6CTSKMEN1
SCHEMBL17970755 0.89 MPO (0.39) MPOITGAVITGB6FGFR4GPR119
SCHEMBL16607380 0.89 ITGAV (0.40) MPOITGAVITGB6GPR119ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4328230-A2 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2024-02-28 EP disclosed
WO-2022008918-A1 AZETIDINE DERIVATIVES FOR THE TREATMENT OF INTEGRIN ASSOCIATED DISEASES UNIVERSITY OF NOTTINGHAM (GB) 2022-01-13 WO disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 US disclosed
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 EP disclosed
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2012-10-04 US disclosed
EP-2493888-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2012-09-05 EP disclosed
WO-2011059839-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-05-19 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-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MPO 1747/4885ITGAV 4645/4885ITGB6 3951/4885

“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.