SCHEMBL3965975

SCHEMBL3965975

COC(=O)/C(=C\c1cc(Br)c(N)c(Br)c1)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.40
PTP4A1 Q93096 3/20 0.35
GSK3B P49841 1/20 0.33
EGFR P00533 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
PTP4A3 O75365 2/20 0.32
PTP4A2 Q12974 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PKM P14618 1/20 0.31
SIRT1 Q96EB6 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
SCHEMBL3965977 1.00 MAPT (0.47) MAPTHPGDRECQLPTP4A1GSK3B
SCHEMBL3966403 1.00 MAPT (0.47) MAPTHPGDRECQLPTP4A1GSK3B
SCHEMBL3520847 0.91 MAPT (0.42) MAPTHPGDRECQLPTP4A1ALDH1A1
SCHEMBL3314098 0.88 MAPT (0.40) MAPTHPGDRECQL
SCHEMBL3310234 0.79 RECQL (0.37) MAPTHPGDRECQLMEN1KMT2A
SCHEMBL7080563 0.77 MAPT (0.35) MAPTHPGDRECQLALDH1A1GAA
SCHEMBL7080565 0.77 MAPT (0.35) MAPTHPGDRECQLALDH1A1GAA
SCHEMBL4391436 0.75 RECQL (0.49) MAPTRECQLALDH1A1KDM4EMEN1
SCHEMBL4391442 0.75 RECQL (0.49) MAPTRECQLALDH1A1KDM4EMEN1
SCHEMBL4391440 0.75 RECQL (0.49) MAPTRECQLALDH1A1KDM4EMEN1

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
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP disclosed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US disclosed
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 EP disclosed
EP-0927192-B1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-12 EP disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 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 (2 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS MAPT 201/4885HPGD 3959/4885RECQL 2166/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 MAPT 164/4885HPGD 3669/4885RECQL 3008/4885

“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.