SCHEMBL1827554

SCHEMBL1827554

CCC(Cc1cccc(OS(=O)(=O)c2ccc(C)cc2)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.46
CA2 P00918 2/20 0.44
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 3/20 0.42
JAK2 O60674 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
S1PR4 O95977 1/20 0.42
F2 P00734 1/20 0.42
TP53 P04637 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SYK P43405 1/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR17 Q13304 1/20 0.40
TSHR P16473 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
SCHEMBL1821715 0.88 P2RX7 (0.47) P2RX7CA2ATMNPSR1JAK2
SCHEMBL1822286 0.88 P2RX7 (0.52) P2RX7CA2ATM
SCHEMBL1824312 0.87 GPR17 (0.43) P2RX7NPSR1LMNAHPGDALDH1A1
SCHEMBL1824736 0.87 P2RX7 (0.52) P2RX7ALDH1A1TSHRCTSBCTSS
SCHEMBL1823361 0.86 P2RX7 (0.53) P2RX7ALDH1A1TSHRMMP13CTSB
SCHEMBL1824612 0.85 P2RX7 (0.53) P2RX7SYKMMP13
SCHEMBL12657706 0.85 P2RX7 (0.53) P2RX7ATMALDH1A1TSHRCTSB
SCHEMBL1826066 0.85 P2RX7 (0.53) P2RX7ATMALDH1A1TSHRCTSB
SCHEMBL14408907 0.85 P2RX7 (0.52) P2RX7CA2ALDH1A1TSHRCTSB
SCHEMBL1826227 0.83 CTSL (0.52) P2RX7NPSR1LMNAHPGDALDH1A1

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 P2RX7 3606/4885CA2 730/4885ATM 4601/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 P2RX7 2747/4885CA2 349/4885ATM 4386/4885

“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.