SCHEMBL3578129

SCHEMBL3578129

CC(C)OC(=O)C(CNCc1ccccc1)Cc1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.42
ATM Q13315 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
BCHE P06276 1/20 0.40
PPARA Q07869 6/20 0.39
EPHX2 P34913 2/20 0.39
OPRK1 P41145 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CA12 O43570 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA2 P00918 1/20 0.38
CTSD P07339 1/20 0.38

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
SCHEMBL1826348 0.90 PPARG (0.44) PPARGATMSMN1; SMN2ADRB2ADRB1
SCHEMBL1826600 0.89 ADAMTS4 (0.41) PPARGATMSMN1; SMN2BCHEEPHX2
SCHEMBL1825506 0.88 PPARG (0.50) PPARGATMSMN1; SMN2ADRB2ADRB1
SCHEMBL1823303 0.88 PPARG (0.52) PPARGATMSMN1; SMN2ADRB2ADRB1
SCHEMBL1827743 0.86 ATM (0.52) PPARGATMSMN1; SMN2ADRB2ADRB1
SCHEMBL1824214 0.86 P2RX7 (0.47) PPARGATM
SCHEMBL1826541 0.84 PPARG (0.47) PPARGPPARACA12CA9CA2
SCHEMBL1825690 0.83 BCHE (0.40) SMN1; SMN2ADRB2ADRB1ADRB3BCHE
SCHEMBL1823164 0.83 TSHR (0.40) PPARGATMSMN1; SMN2ADRB2ADRB1
SCHEMBL1827970 0.82 CA12 (0.43) PPARGATMPPARAMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US 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 PPARG 3864/4885ATM 4601/4885SMN1; SMN2 2274/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 PPARG 2131/4885ATM 4386/4885SMN1; SMN2 3216/4885

“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.