SCHEMBL1827331

SCHEMBL1827331

Cc1ccc(S(=O)(=O)Oc2ccc(C(c3ccccc3)C(C)C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HTT P42858 2/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.46
ADAMTS4 O75173 1/20 0.46
LMNA P02545 1/20 0.46
PPARG P37231 1/20 0.45
ENPP2 Q13822 1/20 0.44
FFAR1 O14842 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 2/20 0.42
CA2 P00918 2/20 0.42
VDR P11473 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL1826355 0.91 TDP1 (0.56) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL1826570 0.88 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL3841899 0.87 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL346667 0.84 HTT (0.59) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL1827936 0.84 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL15477515 0.84 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AHTTMAPT
Iodide SCHEMBL3347426 0.83 HTT (0.58) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL29261850 0.83 HTT (0.58) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL1824280 0.83 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL1824206 0.82 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AHTTMAPT

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 ALDH1A1 1099/4885MEN1 421/4885KMT2A 1068/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ALDH1A1 1440/4885MEN1 183/4885KMT2A 1084/4885

“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.