SCHEMBL1826360

SCHEMBL1826360

COC(=O)[C@H](Cc1cccc(OS(C)(=O)=O)c1)NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
ALOX15 P16050 1/20 0.54
CTSL P07711 2/20 0.50
CTSB P07858 2/20 0.50
CTSS P25774 2/20 0.50
KYNU Q16719 1/20 0.50
CTSK P43235 1/20 0.49
CYP3A4 P08684 3/20 0.48
TSHR P16473 3/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
POLB P06746 1/20 0.48
TACR1 P25103 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL1824920 0.92 CTSL (0.48) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL1826413 0.91 CTSL (0.48) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL1825869 0.90 SYK (0.49) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL3580679 0.89 P2RX7 (0.52) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL1825917 0.89 ALDH1A1 (0.58) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL1825915 0.89 ALDH1A1 (0.58) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL1822339 0.86 P2RX7 (0.59) ALDH1A1ALOX15
SCHEMBL1824599 0.86 TACR1 (0.60) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL1824246 0.85 CTSS (0.50) CTSLCTSBCTSSCTSKPOLB
SCHEMBL1826460 0.85 CA12 (0.47) ALDH1A1CA12CA1CA2CA9

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 ALDH1A1 1099/4885ALOX15 2230/4885CTSL 4133/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ALDH1A1 1440/4885ALOX15 1392/4885CTSL 2260/4885

“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.