SCHEMBL1185698

SCHEMBL1185698

COC(=O)c1cc(S(N)(=O)=O)ccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
TSHR P16473 1/20 0.63
CA2 P00918 9/20 0.58
CA1 P00915 6/20 0.55
CA9 Q16790 6/20 0.55
YAP1 P46937 1/20 0.54
LMNA P02545 4/20 0.53
GAA P10253 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CA12 O43570 4/20 0.51
CA14 Q9ULX7 2/20 0.51
POLB P06746 1/20 0.50
CA5A P35218 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47

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
SCHEMBL1018760 0.87 CA2 (0.55) ALDH1A1TSHRCA2CA1CA9
SCHEMBL2872060 0.85 LMNA (0.68) ALDH1A1TSHRLMNAGAAL3MBTL1
SCHEMBL18547926 0.85 ALDH1A1 (0.65) ALDH1A1TSHRCA2LMNAGAA
SCHEMBL4419601 0.83 PTGS2 (0.63) TSHRCA2CA1CA9YAP1
SCHEMBL1186167 0.83 CA2 (0.55) ALDH1A1TSHRCA2CA1CA9
SCHEMBL4946040 0.83 ALDH1A1 (0.62) ALDH1A1TSHRCA2CA1CA9
SCHEMBL8259017 0.83 ALDH1A1 (0.62) ALDH1A1TSHRCA2LMNAGAA
SCHEMBL25235102 0.82 CA2 (0.59) ALDH1A1TSHRCA2CA1CA9
SCHEMBL16790372 0.82 CA2 (0.59) CA2CA1CA9YAP1LMNA
SCHEMBL7917776 0.81 CA1 (0.59) ALDH1A1CA2CA1CA9LMNA

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 15 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-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
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
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
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
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
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
EP-0219429-B1 SUBSTITUTED BENZENESULFONAMIDE AND ANTIGLAUCOMA FORMULATIONS CONTAINING THEM MERCK & CO. INC. (US) 1989-12-20 EP disclosed
US-4678855-A CARBONIC ANHYDRASE INHIBITORS, GLAUCOMA MERCK & CO., INC. (US) 1987-07-07 US disclosed
EP-0219429-A1 Substituted benzenesulfonamide and antiglaucoma formulations containing them MERCK & CO. INC. (US) 1987-04-22 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 ALDH1A1 1889/4885TSHR 3978/4885CA2 187/4885
US-20130296551-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF CMA1, CPA3, SI ALDH1A1 1889/4885TSHR 3978/4885CA2 187/4885
US-20090253683-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF CMA1, CPA3, SI ALDH1A1 1889/4885TSHR 3978/4885CA2 187/4885
US-20110166342-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF CMA1, CPA3, SI ALDH1A1 1889/4885TSHR 3978/4885CA2 187/4885

“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.