SCHEMBL1823969

SCHEMBL1823969

CC(=O)N[C@@H](Cc1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)OC(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
KDM4A O75164 1/20 0.49
TACR1 P25103 2/20 0.46
P2RX7 Q99572 10/20 0.45
ADAMTS4 O75173 1/20 0.43
ACACB O00763 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
MMP13 P45452 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42

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
SCHEMBL1823967 1.00 KDM4E (0.49) KDM4EKDM4ATACR1P2RX7ADAMTS4
SCHEMBL1824425 0.90 P2RX7 (0.49) KDM4EKDM4ATACR1P2RX7ACACB
SCHEMBL1824423 0.90 P2RX7 (0.49) KDM4EKDM4ATACR1P2RX7ACACB
SCHEMBL1823458 0.90 KDM4E (0.52) KDM4EKDM4ATACR1P2RX7
SCHEMBL1823459 0.90 KDM4E (0.52) KDM4EKDM4ATACR1P2RX7
SCHEMBL1826630 0.88 PLAU (0.48) TACR1PLAUPLATMMP13
SCHEMBL1824818 0.88 TACR1 (0.52) KDM4EKDM4ATACR1P2RX7
SCHEMBL1824821 0.88 TACR1 (0.52) KDM4EKDM4ATACR1P2RX7
SCHEMBL1826239 0.87 P2RX7 (0.59) P2RX7
SCHEMBL1826236 0.87 P2RX7 (0.59) P2RX7

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 KDM4E 2554/4885KDM4A 1127/4885TACR1 1743/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 KDM4E 2704/4885KDM4A 1554/4885TACR1 2452/4885

“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.