SCHEMBL1827391

SCHEMBL1827391

COC(=O)CC(c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)C(N)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.38
ALDH1A1 P00352 5/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CASP3 P42574 2/20 0.36
KCNA5 P22460 1/20 0.36
ENPP1 P22413 4/20 0.36
ENPP3 O14638 3/20 0.36
P2RX7 Q99572 2/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
BMP1 P13497 1/20 0.35
ATM Q13315 1/20 0.35
HTT P42858 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
SCHEMBL1823351 0.94 CASP3 (0.41) ALDH1A1SMN1; SMN2CASP3KCNA5ENPP1
SCHEMBL1828078 0.93 ALDH1A1 (0.37) ENPP2ALDH1A1LMNAMAPTNPC1
SCHEMBL3570980 0.92 ENPP2 (0.37) ENPP2ALDH1A1LMNAMAPTNPC1
SCHEMBL1822423 0.91 CASP3 (0.35) ENPP2ALDH1A1MAPTCASP3KCNA5
SCHEMBL1824353 0.91 P2RX7 (0.37) ENPP2ALDH1A1LMNAMAPTNPC1
SCHEMBL1824683 0.90 P2RX7 (0.42) ENPP2ALDH1A1LMNAMAPTNPC1
SCHEMBL1823553 0.88 ENPP2 (0.36) ENPP2ALDH1A1LMNAMAPTNPC1
SCHEMBL1823766 0.88 CASP3 (0.39) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL1824415 0.87 CASP3 (0.41) CASP3KCNA5KMT2A
SCHEMBL1821643 0.87 ENPP2 (0.38) ENPP2ALDH1A1LMNAMAPTCASP3

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 ENPP2 3832/4885ALDH1A1 1099/4885LMNA 1802/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ENPP2 3966/4885ALDH1A1 1440/4885LMNA 1130/4885

“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.