SCHEMBL1827403

SCHEMBL1827403

Cc1ccc(S(=O)(=O)Oc2ccc(C(NCc3ccccc3)C(=O)OC(C)C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ENPP2 Q13822 2/20 0.44
ENPP1 P22413 2/20 0.43
P2RX7 Q99572 6/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
PPARG P37231 1/20 0.42
ENPP3 O14638 1/20 0.41
ADAMTS4 O75173 1/20 0.41
CA12 O43570 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ATM Q13315 1/20 0.40
CA9 Q16790 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
CNR2 P34972 1/20 0.40
MMP2 P08253 1/20 0.39

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
SCHEMBL1823102 0.94 MEN1 (0.47) KMT2AMEN1ENPP2ENPP1ALDH1A1
SCHEMBL1825040 0.91 KMT2A (0.55) KMT2AMEN1ENPP2ENPP1P2RX7
SCHEMBL1826184 0.90 KMT2A (0.46) KMT2AMEN1ENPP2ENPP1P2RX7
SCHEMBL1825599 0.89 P2RX7 (0.49) KMT2AMEN1ENPP2P2RX7ALDH1A1
SCHEMBL1823843 0.87 P2RX7 (0.50) KMT2AMEN1ENPP2ENPP1P2RX7
SCHEMBL1825106 0.85 P2RX7 (0.55) P2RX7ATM
SCHEMBL1828570 0.85 MEN1 (0.49) KMT2AMEN1CNR2
SCHEMBL1822316 0.85 P2RX7 (0.52) KMT2AENPP2ENPP1P2RX7ATM
SCHEMBL1822315 0.85 P2RX7 (0.52) KMT2AENPP2ENPP1P2RX7ATM
SCHEMBL1825246 0.84 ENPP2 (0.42) KMT2AMEN1ENPP2ENPP1P2RX7

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 KMT2A 1068/4885MEN1 421/4885ENPP2 3832/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 KMT2A 1084/4885MEN1 183/4885ENPP2 3966/4885

“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.