SCHEMBL1827651

SCHEMBL1827651

CC(C)OC(=O)CC(CNCc1ccccc1)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.41
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ENPP3 O14638 5/20 0.38
ENPP1 P22413 5/20 0.38
BCHE P06276 2/20 0.38
ENPP2 Q13822 2/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ADRB3 P13945 1/20 0.36
MAPT P10636 1/20 0.36
CNR2 P34972 1/20 0.35

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
SCHEMBL1823555 0.94 ENPP2 (0.41) ADAMTS4ALDH1A1SMN1; SMN2ENPP3ENPP1
SCHEMBL1823395 0.91 ALDH1A1 (0.40) ADAMTS4ALDH1A1SMN1; SMN2ENPP3ENPP1
SCHEMBL1827075 0.90 TSHR (0.41) TSHRBCHEPLA2G1BATG4BADRB3
SCHEMBL1823043 0.89 BCHE (0.40) TSHRBCHEADRB3
SCHEMBL1826390 0.88 SMN1; SMN2 (0.43) ADAMTS4TSHRALDH1A1SMN1; SMN2TDP1
SCHEMBL1823915 0.87 ATM (0.44) ADAMTS4ALDH1A1SMN1; SMN2
SCHEMBL1826377 0.87 CA12 (0.41) ADAMTS4ALDH1A1SMN1; SMN2ENPP3ENPP1
SCHEMBL1823446 0.85 MTNR1A (0.43) ADAMTS4TSHRALDH1A1SMN1; SMN2ENPP3
SCHEMBL1826818 0.85 ADAMTS4 (0.40) ADAMTS4TSHRALDH1A1SMN1; SMN2ENPP3
SCHEMBL1824043 0.85 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2ENPP1ENPP2MAPT

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 ADAMTS4 4799/4885TSHR 1200/4885ALDH1A1 1099/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ADAMTS4 4532/4885TSHR 2860/4885ALDH1A1 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.