SCHEMBL1827393

SCHEMBL1827393

Cc1ccc(S(=O)(=O)Oc2ccc(C(C(=O)OCC3c4ccccc4-c4ccccc43)C(CN)CC(=O)OC(C)C)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.35
CASP3 P42574 4/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
PPARG P37231 1/20 0.33
ENPP1 P22413 4/20 0.33
ENPP3 O14638 3/20 0.33
DHODH Q02127 1/20 0.33
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL1825173 0.94 CASP3 (0.37) CASP3ALDH1A1KMT2AENPP1ENPP3
SCHEMBL1824974 0.92 KMT2A (0.36) ENPP2CASP3ALDH1A1KMT2AMAPT
SCHEMBL1822982 0.92 ALDH1A1 (0.35) ENPP2CASP3ALDH1A1KMT2AMAPT
SCHEMBL1825570 0.90 ENPP2 (0.35) ENPP2CASP3ALDH1A1KMT2AMAPT
SCHEMBL1826811 0.90 P2RX7 (0.37) ENPP2CASP3ALDH1A1KMT2AMAPT
SCHEMBL1826358 0.89 P2RX7 (0.39) CASP3KMT2AMAPTPPARGLMNA
SCHEMBL1824816 0.88 CASP3 (0.37) CASP3KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL1829174 0.88 ENPP2 (0.36) ENPP2CASP3ALDH1A1KMT2AMAPT
SCHEMBL1821792 0.87 CASP3 (0.38) CASP3ALDH1A1KMT2AMAPTPPARG
SCHEMBL3582627 0.86 CASP3 (0.40) CASP3ALDH1A1KMT2AENPP1ENPP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161254-B1 Intermediate for preparing a biaryl compound SUMITOMO CHEMICAL CO (JP) 2014-08-13 EP 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 (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-20040158093-A1 Process for preparing a biaryl compound CYP1B1, REL, CYP2F1 ENPP2 3832/4885CASP3 1512/4885ALDH1A1 1099/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ENPP2 3966/4885CASP3 854/4885ALDH1A1 1440/4885

“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.