SCHEMBL527425

SCHEMBL527425

CCC(C)Oc1cc(C(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 10/20 0.55
MYC P01106 2/20 0.54
MAX P61244 2/20 0.54
CASP6 P55212 1/20 0.53
TSHR P16473 2/20 0.52
EP300 Q09472 1/20 0.52
HIF1A Q16665 1/20 0.52
XDH P47989 1/20 0.48
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
TTR P02766 1/20 0.46

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
SCHEMBL28316244 0.89 HCAR3 (0.59) HCAR3CASP6TSHRXDHTTR
SCHEMBL528040 0.86 EP300 (0.61) HCAR3MYCMAXCASP6TSHR
SCHEMBL30658490 0.86 EP300 (0.61) HCAR3MYCMAXCASP6TSHR
SCHEMBL8072162 0.81 CA12 (0.51) CASP6TSHRALDH1A1GAATTR
SCHEMBL31003858 0.80 CASP6 (0.63) HCAR3MYCMAXCASP6TSHR
SCHEMBL16974724 0.80 CASP6 (0.63) HCAR3MYCMAXCASP6TSHR
SCHEMBL3537490 0.80 MAPT (0.62) HCAR3MYCMAXCASP6TSHR
SCHEMBL527704 0.80 MYC (0.78) HCAR3MYCMAXCASP6TSHR
Hydrochloric Acid SCHEMBL3729179 0.79 MAPT (0.60) HCAR3MYCMAXCASP6TSHR
SCHEMBL223878 0.78 TTR (0.64) HCAR3MYCMAXCASP6TSHR

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 11 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-9217022-B2 GLP-1 receptor agonist compounds having stabilized regions ASTRAZENECA PHARMACEUTICALS LP (US) 2015-12-22 US disclosed
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
US-20130184203-A1 GLP-1 RECEPTOR AGONIST COMPOUNDS HAVING STABILIZED REGIONS ASTRAZENECA PHARMACEUTICALS LP (US) 2013-07-18 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
WO-2012015975-A2 GLP-1 RECEPTOR AGONIST COMPOUNDS HAVING STABILIZED REGIONS AMYLIN PHARMACEUTICALS, INC. (US) 2012-02-02 WO disclosed
US-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-06-10 US disclosed
US-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-06-10 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-20130184203-A1 GLP-1 RECEPTOR AGONIST COMPOUNDS HAVING STABILIZED REGIONS GLP1R, GIPR, GCGR HCAR3 386/4885MYC 3191/4885MAX 519/4885
US-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, PDXK HCAR3 3942/4885MYC 4608/4885MAX 4498/4885

“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.