SCHEMBL4023082

SCHEMBL4023082

CCCCC(=O)N(C)[C@H](C(=O)O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ AGTR1 P30556 2/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ GP6 Q9HCN6 1/20 0.37
▸ LTB4R2 Q9NPC1 1/20 0.37
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ KDM4C Q9H3R0 7/20 0.37
▸ KDM5A P29375 6/20 0.37
▸ KDM5C P41229 1/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36
▸ PLA2G2A P14555 1/20 0.36
▸ PLA2G5 P39877 1/20 0.36
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ PHF8 Q9UPP1 2/20 0.35
▸ KDM4A O75164 1/20 0.35
▸ AKR1B1 P15121 1/20 0.34
▸ TP53 P04637 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
SCHEMBL4023079 1.00 ALDH1A1 (0.50) ALDH1A1AGTR1ABCB11GP6LTB4R2
SCHEMBL22424763 0.95 ALDH1A1 (0.44) ALDH1A1KDM4CKDM5AKDM5CKDM5B
SCHEMBL28892954 0.93 PLA2G2A (0.44) ALDH1A1KDM4CKDM5APLA2G2APLA2G5
SCHEMBL28892975 0.93 PLA2G2A (0.44) ALDH1A1KDM4CKDM5APLA2G2APLA2G5
SCHEMBL28893067 0.93 PLA2G2A (0.44) ALDH1A1KDM4CKDM5APLA2G2APLA2G5
SCHEMBL1654403 0.93 PLA2G2A (0.44) ALDH1A1KDM4CKDM5APLA2G2APLA2G5
SCHEMBL16499600 0.93 PLA2G2A (0.44) ALDH1A1KDM4CKDM5APLA2G2APLA2G5
SCHEMBL28893146 0.93 PLA2G2A (0.44) ALDH1A1KDM4CKDM5APLA2G2APLA2G5
SCHEMBL31589129 0.82 CHRNB2 (0.33) ALDH1A1KDM4CKDM5ACHRNB2CHRNB4
SCHEMBL14411541 0.82 ALDH1A1 (0.38) ALDH1A1CES2CES1PLA2G2APLA2G5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569528-B2 Process for the preparation of tetrazole derivatives from organo boron and organo aluminium azides NOVARTIS AG (CH) 2013-10-29 — — US disclosed
US-8569528-B2 Process for the preparation of tetrazole derivatives from organo boron and organo aluminium azides NOVARTIS AG (CH) 2013-10-29 — — US disclosed
US-20120330026-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES NOVARTIS AG (CH) 2012-12-27 — — US disclosed
US-20120330026-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES NOVARTIS AG (CH) 2012-12-27 — — US disclosed
US-20110184187-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES SEDELMEIER GOTTFRIED 2011-07-28 — — US disclosed
US-20110184187-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES SEDELMEIER GOTTFRIED 2011-07-28 — — US disclosed
US-7943647-B2 Process for the preparation of tetrazole derivatives from organo aluminium azides NOVARTIS AG (CH) 2011-05-17 — — US disclosed
US-7943647-B2 Process for the preparation of tetrazole derivatives from organo aluminium azides NOVARTIS AG (CH) 2011-05-17 — — US disclosed
EP-1646636-B1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES NOVARTIS AG (CH) 2009-12-02 — — EP disclosed
EP-2116548-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES Novartis AG (CH) 2009-11-11 — — EP disclosed
WO-2009098451-A2 BIOMARKERS OF AMINOPEPTIDASE INHIBITION CHROMA THERAPEUTICS LIMITED (GB) 2009-08-13 — — WO disclosed
US-20070043098-A1 Process for the preparation of tetrazole derivatives from organo boron and organo aluminium azides NOVARTIS PHARMACEUTICALS CORPORATION 2007-02-22 — — US disclosed
WO-2005014602-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES NOVARTIS AG (CH) 2005-02-17 — — 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 (3 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-20070043098-A1 Process for the preparation of tetrazole derivatives from organo boron and organo aluminium azides ABL1, TBCA, TBC1D5 ALDH1A1 3205/4885AGTR1 2005/4885ABCB11 1648/4885
US-20120330026-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES ABL1, TBCA, TBC1D5 ALDH1A1 3205/4885AGTR1 2005/4885ABCB11 1648/4885
US-20110184187-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES ABL1, TBCA, TBC1D5 ALDH1A1 3205/4885AGTR1 2005/4885ABCB11 1648/4885

“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.

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