SCHEMBL1824802

SCHEMBL1824802

COC(=O)C(Cc1ccc(OS(C)(=O)=O)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.52
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
ABCB1 P08183 1/20 0.48
BCL2 P10415 1/20 0.48
CTSS P25774 7/20 0.47
CTSK P43235 6/20 0.47
CTSB P07858 2/20 0.46
CTSL P07711 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
ACE P12821 1/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
P4HB P07237 1/20 0.43
PTPN1 P18031 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
SCHEMBL14885696 1.00 KLK5 (0.52) KLK5ITGB3ITGA2BABCB1BCL2
SCHEMBL1824223 1.00 KLK5 (0.52) KLK5ITGB3ITGA2BABCB1BCL2
SCHEMBL1827228 0.94 ITGB3 (0.51) KLK5ITGB3ITGA2BABCB1BCL2
SCHEMBL1827227 0.94 ITGB3 (0.51) KLK5ITGB3ITGA2BABCB1BCL2
SCHEMBL1826124 0.91 ITGB3 (0.48) KLK5ITGB3ITGA2BABCB1BCL2
SCHEMBL1826126 0.91 ITGB3 (0.48) KLK5ITGB3ITGA2BABCB1BCL2
SCHEMBL1824620 0.90 ITGB3 (0.47) KLK5ITGB3ITGA2BABCB1BCL2
SCHEMBL1824617 0.90 ITGB3 (0.47) KLK5ITGB3ITGA2BABCB1BCL2
SCHEMBL20634602 0.89 KLK5 (0.51) KLK5ITGB3ITGA2BABCB1BCL2
SCHEMBL14798516 0.89 ITGB3 (0.62) ITGB3ITGA2BABCB1BCL2CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9265768-B2 Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-02-23 US disclosed
EP-2161254-B1 Intermediate for preparing a biaryl compound SUMITOMO CHEMICAL CO (JP) 2014-08-13 EP disclosed
EP-2760838-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2014-08-06 EP disclosed
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-05-22 US disclosed
WO-2013045280-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-04-04 WO disclosed
US-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-03-28 US disclosed
EP-1481967-B1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2011-05-04 EP disclosed
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
EP-2161254-A1 Intermediate for preparing a biaryl compound Sumitomo Chemical Company, Limited (JP) 2010-03-10 EP disclosed
US-20070270603-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2007-11-22 US disclosed
US-7271280-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-18 US disclosed
EP-1481967-A1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS Sumitomo Chemical Company, Limited (JP) 2004-12-01 EP disclosed
US-20040158093-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-12 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 (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-20040158093-A1 Process for preparing a biaryl compound CYP1B1, REL, CYP2F1 KLK5 4207/4885ITGB3 2686/4885ITGA2B 2709/4885
US-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE3A KLK5 640/4885ITGB3 2553/4885ITGA2B 3480/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 KLK5 1684/4885ITGB3 4493/4885ITGA2B 4364/4885
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE3A KLK5 640/4885ITGB3 2553/4885ITGA2B 3480/4885

“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.