SCHEMBL1827207

SCHEMBL1827207

CCOC(=O)[C@H](Cc1cccc(OS(=O)(=O)c2ccccc2)c1)NC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.52
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
TP53 P04637 1/20 0.45
FAAH O00519 1/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 2/20 0.43
MME P08473 2/20 0.41
ACE P12821 2/20 0.41
CPA1 P15085 2/20 0.41
ACE2 Q9BYF1 2/20 0.41
P2RX7 Q99572 1/20 0.41
RAB9A P51151 2/20 0.40
MMP13 P45452 1/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40
BACE1 P56817 1/20 0.40

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
SCHEMBL1823790 0.93 TACR1 (0.48) TACR1TP53P2RX7GAA
SCHEMBL1826061 0.92 TACR1 (0.57) TACR1CA12CA1CA2CA9
SCHEMBL1825995 0.91 CA12 (0.54) TACR1CA12CA1CA2CA9
SCHEMBL1826528 0.89 P2RX7 (0.53) P2RX7
SCHEMBL1826630 0.88 PLAU (0.48) TACR1CA12CA1CA2CA9
SCHEMBL1824818 0.88 TACR1 (0.52) TACR1ALDH1A1P2RX7RAB9ASMN1; SMN2
SCHEMBL1824821 0.88 TACR1 (0.52) TACR1ALDH1A1P2RX7RAB9ASMN1; SMN2
SCHEMBL1824553 0.88 TACR1 (0.59) TACR1POLBP2RX7
SCHEMBL1823295 0.88 TACR1 (0.45) TACR1CA12CA1CA2CA9
SCHEMBL1824339 0.87 FAAH (0.44) CA12CA1CA2CA9TP53

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 TACR1 1743/4885CA12 1498/4885CA1 1603/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 TACR1 2452/4885CA12 670/4885CA1 1728/4885

“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.