Sugi Predict

Sugi Predict / Compounds / SCHEMBL1822652

SCHEMBL1822652

SCHEMBL1822652

CC(C)(C)OC(=O)[C@H](Cc1ccc(OS(C)(=O)=O)cc1)NCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 2/20 0.58
▸ ITGB7 P26010 2/20 0.58
▸ MAPT P10636 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA7 P43166 2/20 0.44
▸ CA14 Q9ULX7 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ P2RX7 Q99572 6/20 0.43
▸ ATM Q13315 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ ABCB1 P08183 1/20 0.42
▸ BCL2 P10415 1/20 0.42
▸ KDM4E B2RXH2 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
SCHEMBL1822651 1.00 ITGA4 (0.58) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL2855590 0.90 ITGA4 (0.57) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL2855588 0.90 ITGA4 (0.57) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL1826608 0.89 ITGA4 (0.53) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL1826855 0.89 ITGA4 (0.56) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL1826854 0.89 ITGA4 (0.56) ITGA4ITGB7MAPTTDP1POLB
SCHEMBL1825065 0.89 CA12 (0.54) ITGA4ITGB7POLBMEN1KMT2A
SCHEMBL1825062 0.89 CA12 (0.54) ITGA4ITGB7POLBMEN1KMT2A
SCHEMBL1825511 0.86 ITGA4 (0.51) ITGA4ITGB7POLBCA12CA7
SCHEMBL1825512 0.86 ITGA4 (0.51) ITGA4ITGB7POLBCA12CA7

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 ITGA4 3149/4885ITGB7 2859/4885MAPT 4712/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ITGA4 4469/4885ITGB7 3850/4885MAPT 2237/4885

“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.