SCHEMBL1822882

SCHEMBL1822882

CC(C)(C)C(c1ccccc1)c1ccccc1OS(=O)(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
HSD11B1 P28845 1/20 0.43
HSD17B3 P37058 1/20 0.43
MAPT P10636 4/20 0.40
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
HTR6 P50406 2/20 0.38
TDP1 Q9NUW8 3/20 0.37
GAA P10253 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 4/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.35
DHODH Q02127 1/20 0.34

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
SCHEMBL1826546 0.92 LMNA (0.46) ALDH1A1HSD11B1HSD17B3MAPTKMT2A
SCHEMBL1824757 0.85 CYP24A1 (0.35) HSD11B1HSD17B3L3MBTL1HTR6
SCHEMBL1824123 0.81 ALDH1A1 (0.46) ALDH1A1HSD11B1HSD17B3MAPTMETAP2
SCHEMBL1826111 0.80 ALDH1A1 (0.49) ALDH1A1HSD11B1HSD17B3MAPTMETAP2
SCHEMBL1827576 0.79 TDP1 (0.54) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL1822285 0.79 ALDH1A1 (0.47) ALDH1A1HSD11B1HSD17B3MAPTMETAP2
SCHEMBL1824856 0.78 ALDH1A1 (0.50) ALDH1A1HSD11B1HSD17B3MAPTMETAP2
SCHEMBL1827233 0.75 ALDH1A1 (0.50) ALDH1A1HSD11B1HSD17B3MAPTMETAP2
SCHEMBL1827103 0.74 ALDH1A1 (0.49) ALDH1A1HSD11B1HSD17B3MAPTMETAP2
SCHEMBL3840680 0.73 LMNA (0.50) ALDH1A1HSD11B1HSD17B3MAPTKMT2A

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 1099/4885HSD11B1 230/4885HSD17B3 436/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ALDH1A1 1440/4885HSD11B1 79/4885HSD17B3 180/4885

“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.