SCHEMBL527106

SCHEMBL527106

Cc1c(C(=O)O)ccc([N+](=O)[O-])c1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.52
CTSL P07711 4/20 0.52
TSHR P16473 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PTGER1 P34995 1/20 0.48
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
PTPN1 P18031 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL15726040 0.83 PTGER1 (0.57) MEN1KMT2APTGER1MAPTTDP1
SCHEMBL16369625 0.83 CTSV (0.48) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL3093865 0.82 CTSV (0.58) CTSVCTSLTSHRMEN1KMT2A
SCHEMBL6597868 0.80 KMT2A (0.44) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL12253970 0.80 PTPN1 (0.47) CTSVCTSLMEN1KMT2APTGER1
SCHEMBL24983833 0.79 PTGER1 (0.60) CTSVCTSLPTGER1MAPTTDP1
SCHEMBL30141251 0.79 PTGER1 (0.60) CTSVCTSLPTGER1MAPTTDP1
SCHEMBL1162221 0.79 PTGER1 (0.54) CTSVCTSLMEN1KMT2APTGER1
SCHEMBL14605182 0.79 TSHR (0.61) CTSVCTSLTSHRMEN1KMT2A
SCHEMBL11516740 0.78 MEN1 (0.48) TSHRMEN1KMT2AMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9217022-B2 GLP-1 receptor agonist compounds having stabilized regions ASTRAZENECA PHARMACEUTICALS LP (US) 2015-12-22 US disclosed
US-20130184203-A1 GLP-1 RECEPTOR AGONIST COMPOUNDS HAVING STABILIZED REGIONS ASTRAZENECA PHARMACEUTICALS LP (US) 2013-07-18 US disclosed
EP-2598161-A2 GLP-1 RECEPTOR AGONIST COMPOUNDS HAVING STABILIZED REGIONS Amylin Pharmaceuticals, LLC (US) 2013-06-05 EP disclosed
WO-2012015975-A2 GLP-1 RECEPTOR AGONIST COMPOUNDS HAVING STABILIZED REGIONS AMYLIN PHARMACEUTICALS, INC. (US) 2012-02-02 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-20130184203-A1 GLP-1 RECEPTOR AGONIST COMPOUNDS HAVING STABILIZED REGIONS GLP1R, GIPR, GCGR CTSV 1553/4885CTSL 2699/4885TSHR 116/4885

“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.