SCHEMBL1185396

SCHEMBL1185396

CCC(=O)c1ccc(C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.51
TSHR P16473 2/20 0.51
HCAR3 P49019 11/20 0.51
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CDC25B P30305 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GLA P06280 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
SCHEMBL28029786 0.84 HCAR3 (0.53) CASP6TSHRHCAR3
SCHEMBL145092 0.83 CASP6 (0.72) CASP6TSHRHCAR3LMNA
SCHEMBL30810715 0.83 CASP6 (0.72) CASP6TSHRHCAR3LMNA
SCHEMBL842661 0.83 CASP6 (0.72) CASP6TSHRHCAR3LMNA
Terephthalic Acid SCHEMBL15808957 0.82 CASP6 (0.70) CASP6TSHRHCAR3LMNA
SCHEMBL11649278 0.82 CASP6 (0.70) CASP6TSHRHCAR3LMNA
Ammonia Solution, Strong SCHEMBL32680170 0.82 CASP6 (0.70) CASP6TSHRHCAR3LMNA
SCHEMBL21775014 0.81 ALDH1A1 (0.51) CASP6TSHRHCAR3LMNAKMT2A
SCHEMBL7047805 0.81 TSHR (0.68) TSHRLMNAKMT2AALDH1A1MAPK1
SCHEMBL7941824 0.81 KMT2A (0.62) CASP6TSHRHCAR3LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296551-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF DAIICHI SANKYO CO LTD (JP) 2013-11-07 US disclosed
EP-2025672-B1 PROCESS FOR PRODUCING 1-CARBAMOYL-3,7-DIOXO-1,4-DIAZEPANE COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2013-09-18 EP disclosed
EP-2463268-B1 4-(Aminomethyl)benzoic acids as intermediates for the preparation of chymase inhibiting 1,4-diazepan-2,5-dione compounds DAIICHI SANKYO CO LTD (JP) 2013-08-28 EP disclosed
US-8507714-B2 7-membered ring compound and method of production and pharmaceutical application thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-08-13 US disclosed
CN-102127023-B 7-membered ring compound, process for producing the same, and use thereof DAIICHI SANKYO CO LTD 2013-02-06 CN disclosed
EP-1820798-B1 7-MEMBERED RING COMPOUND, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF DAIICHI SANKYO CO LTD (JP) 2012-08-22 EP disclosed
EP-2463268-A1 Aminomethyl-substituted aromatic acids as intermediates for the preparation of chymase inhibiting 1,4-diazepan-2,5-dione compounds Daiichi Sankyo Company, Limited (JP) 2012-06-13 EP disclosed
US-8049006-B2 7-membered ring compound and method of production and pharmaceutical application thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-01 US disclosed
CN-102127023-A 7-membered ring compound, process for producing the same, and use thereof DAIICHI ASUBIO PHARMA CO LTD 2011-07-20 CN disclosed
US-20110166342-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-07 US disclosed
US-7888348-B2 7-membered ring compound and method of production and pharmaceutical application thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-02-15 US disclosed
CN-101160290-B 7-membered ring compound, process for producing the same, and pharmaceutical use thereof DAIICHI SANKYO CO LTD 2011-01-19 CN disclosed
US-20090253683-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF ASUBIO PHARMA CO., LTD (JP) 2009-10-08 US disclosed
CN-101495463-A Seven-membered ring compound, production method thereof and pharmaceutical use thereof ASUBIO PHARMA CO LTD (JP) 2009-07-29 CN disclosed
US-20090111796-A1 7-membered ring compound and method of production and pharmaceutical application thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-04-30 US disclosed
EP-2025672-A1 SEVEN-MEMBERED RING COMPOUND, PRODUCTION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF Asubio Pharma Co., Ltd. (JP) 2009-02-18 EP disclosed
CN-101160290-A 7-membered ring compound, process for producing the same, and pharmaceutical use thereof ASUBIO PHARMA CO LTD (JP) 2008-04-09 CN disclosed
EP-1820798-A1 7-MEMBERED RING COMPOUND, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF Asubio Pharma Co., Ltd. (JP) 2007-08-22 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 (4 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-20090111796-A1 7-membered ring compound and method of production and pharmaceutical application thereof CMA1, CPA3, SI CASP6 704/4885TSHR 3978/4885HCAR3 1420/4885
US-20130296551-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF CMA1, CPA3, SI CASP6 704/4885TSHR 3978/4885HCAR3 1420/4885
US-20090253683-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF CMA1, CPA3, SI CASP6 704/4885TSHR 3978/4885HCAR3 1420/4885
US-20110166342-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF CMA1, CPA3, SI CASP6 704/4885TSHR 3978/4885HCAR3 1420/4885

“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.