SCHEMBL2834868

SCHEMBL2834868

COC(=O)C(C)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.52
TDP1 Q9NUW8 2/20 0.50
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ENPP3 O14638 6/20 0.46
ENPP1 P22413 6/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
ENPP2 Q13822 4/20 0.45
CXCR2 P25025 1/20 0.45
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 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
SCHEMBL1823160 0.87 KMT2A (0.50) ADAMTS4ALDH1A1SMN1; SMN2ENPP3ENPP1
SCHEMBL2835298 0.87 ADAMTS4 (0.55) ADAMTS4TDP1ALDH1A1SMN1; SMN2ENPP3
SCHEMBL1345199 0.87 ADAMTS4 (0.55) ADAMTS4TDP1ALDH1A1SMN1; SMN2ENPP3
SCHEMBL1345327 0.87 ADAMTS4 (0.55) ADAMTS4TDP1ALDH1A1SMN1; SMN2ENPP3
SCHEMBL1826450 0.86 ADAMTS4 (0.53) ADAMTS4TDP1ALDH1A1SMN1; SMN2ENPP3
SCHEMBL2832246 0.86 TDP1 (0.48) ADAMTS4TDP1ALDH1A1SMN1; SMN2ENPP3
SCHEMBL3576924 0.86 TDP1 (0.50) ADAMTS4TDP1ALDH1A1SMN1; SMN2ENPP3
SCHEMBL1824672 0.85 TDP1 (0.53) ADAMTS4TDP1ALDH1A1SMN1; SMN2ENPP3
SCHEMBL2839041 0.85 PTGS1 (0.56) ADAMTS4TDP1ALDH1A1SMN1; SMN2ENPP3
SCHEMBL1826737 0.85 TDP1 (0.47) ADAMTS4TDP1ALDH1A1SMN1; SMN2ENPP3

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 7 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
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 ADAMTS4 4799/4885TDP1 4543/4885ALDH1A1 1099/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ADAMTS4 4532/4885TDP1 4702/4885ALDH1A1 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.