SCHEMBL1827598

SCHEMBL1827598

Cc1ccc(S(=O)(=O)Oc2cccc(CC(C)NCc3ccccc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
CA12 O43570 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ATM Q13315 1/20 0.44
CA9 Q16790 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 3/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
MAPT P10636 1/20 0.41
G6PD P11413 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP19A1 P11511 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
ADRB3 P13945 1/20 0.40
GPR17 Q13304 1/20 0.40
CASR P41180 1/20 0.40

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
SCHEMBL1827363 0.88 SIGMAR1 (0.55) SIGMAR1CA12CYP1A2CYP3A4ATM
SCHEMBL1823435 0.87 L3MBTL1 (0.42) CA12CYP1A2CYP3A4ATMCA9
SCHEMBL1827933 0.86 KMT2A (0.45) CA12CYP1A2CYP3A4ATMCA9
SCHEMBL1822263 0.84 CASR (0.60) CA12CYP1A2CYP3A4ATMCA9
SCHEMBL1824529 0.84 ATM (0.49) CA12ATMCA9L3MBTL1GAA
SCHEMBL1823812 0.84 PLAU (0.43) ATML3MBTL1GAAMAPTG6PD
SCHEMBL3583098 0.83 P2RX7 (0.44) ATML3MBTL1GAAMAPTG6PD
SCHEMBL4599792 0.83 ALDH1A1 (0.47) L3MBTL1GAAALDH1A1MAPTG6PD
SCHEMBL1824966 0.83 GAA (0.51) GAAALDH1A1MAPTG6PDNPSR1
SCHEMBL1828155 0.82 P2RX7 (0.49) LMNA

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 SIGMAR1 1036/4885CA12 1498/4885CYP1A2 22/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 SIGMAR1 3427/4885CA12 670/4885CYP1A2 14/4885

“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.