SCHEMBL2835488

SCHEMBL2835488

CCOC(=O)[C@H](Cc1ccc(OS(=O)(=O)c2ccccc2)cc1)NCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.47
KDM4E B2RXH2 1/20 0.47
KDM4A O75164 1/20 0.47
BACE1 P56817 1/20 0.46
PPARG P37231 2/20 0.44
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARA Q07869 1/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MMP8 P22894 1/20 0.43

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
SCHEMBL2835487 1.00 P2RX7 (0.47) P2RX7KDM4EKDM4ABACE1PPARG
SCHEMBL1821509 0.95 P2RX7 (0.54) P2RX7KDM4EKDM4ABACE1
SCHEMBL1821507 0.95 P2RX7 (0.54) P2RX7KDM4EKDM4ABACE1
SCHEMBL1825841 0.91 CA12 (0.52) P2RX7KDM4EKDM4AALDH1A1CA12
SCHEMBL1825842 0.91 CA12 (0.52) P2RX7KDM4EKDM4AALDH1A1CA12
SCHEMBL1829006 0.90 P2RX7 (0.50) P2RX7KDM4EKDM4A
SCHEMBL1829005 0.90 P2RX7 (0.50) P2RX7KDM4EKDM4A
SCHEMBL1824339 0.89 FAAH (0.44) P2RX7BACE1ALDH1A1SMN1; SMN2CA12
SCHEMBL1822770 0.89 PPARG (0.47) BACE1PPARGEPHX2SMN1; SMN2PPARA
SCHEMBL1822769 0.89 PPARG (0.47) BACE1PPARGEPHX2SMN1; SMN2PPARA

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 6 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
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
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 3606/4885KDM4E 2554/4885KDM4A 1127/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 P2RX7 2747/4885KDM4E 2704/4885KDM4A 1554/4885

“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.