SCHEMBL3891925

SCHEMBL3891925

[CH2]C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
BCL9 O00512 1/20 0.57
CTNNB1 P35222 1/20 0.57
KMT2A Q03164 4/20 0.56
PKM P14618 1/20 0.56
TSHR P16473 1/20 0.52
CES1 P23141 2/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CES2 O00748 1/20 0.52
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
MGLL Q99685 1/20 0.50
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MYOC Q99972 1/20 0.50

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
SCHEMBL7063519 0.83 GAA (0.65) GAABCL9CTNNB1KMT2APKM
SCHEMBL26374 0.83 GAA (0.65) GAABCL9CTNNB1KMT2APKM
SCHEMBL19457007 0.82 GAA (0.58) GAABCL9CTNNB1KMT2APKM
SCHEMBL3125295 0.82 GAA (0.62) GAABCL9CTNNB1KMT2APKM
SCHEMBL26375 0.82 GAA (0.62) GAABCL9CTNNB1KMT2APKM
SCHEMBL23084891 0.82 GAA (0.62) GAABCL9CTNNB1KMT2APKM
Hydrochloric Acid SCHEMBL7895043 0.82 GAA (0.62) GAABCL9CTNNB1KMT2APKM
SCHEMBL2748042 0.82 GAA (0.62) GAABCL9CTNNB1KMT2APKM
SCHEMBL15546810 0.81 GAA (0.57) GAABCL9CTNNB1KMT2APKM
SCHEMBL226894 0.81 GAA (0.57) GAABCL9CTNNB1KMT2APKM

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-20150057433-A1 PREPARATION OF FUNCTIONALIZED POLYPEPTIDES, PEPTIDES, AND PROTEINS BY ALKYLATION OF THIOETHER GROUPS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-02-26 US claimed
EP-2831090-A1 PREPARATION OF FUNCTIONALIZED POLYPEPTIDES, PEPTIDES, AND PROTEINS BY ALKYLATION OF THIOETHER GROUPS The Regents of The University of California (US) 2015-02-04 EP claimed
WO-2013148727-A1 PREPARATION OF FUNCTIONALIZED POLYPEPTIDES, PEPTIDES, AND PROTEINS BY ALKYLATION OF THIOETHER GROUPS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-03 WO claimed
WO-2023202655-A1 FAP INHIBITORS SHANGHAI SINOTAU BIOTECH. CO., LTD (CN) 2023-10-26 WO disclosed
CN-110035996-A Novel high relaxation gadolinium chelate compound for magnetic resonance imaging 拜耳医药股份公司 2019-07-19 CN disclosed
US-7605134-B2 Pesticides MERIAL LIMITED (US) 2009-10-20 US disclosed
EP-1421094-B1 4\"-DEOXY-4\"-(S)-AMINO AVERMECTIN DERIVATIVES MERIAL LTD (GB) 2008-10-15 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-20150057433-A1 PREPARATION OF FUNCTIONALIZED POLYPEPTIDES, PEPTIDES, AND PROTEINS BY ALKYLATION OF THIOETHER GROUPS PTMS, TMT1A, PTMA GAA 3544/4885BCL9 2244/4885CTNNB1 4779/4885

“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.