SCHEMBL2830617

SCHEMBL2830617

CCC(C(=O)OC)c1ccccc1OS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
ACHE P22303 2/20 0.38
HCRTR1 O43613 1/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL1822253 0.85 ALDH1A1 (0.39) L3MBTL1TDP1KMT2AALDH1A1KDM4E
SCHEMBL2831657 0.85 SMN1; SMN2 (0.47) L3MBTL1TDP1CA1CA2ACHE
SCHEMBL28569136 0.82 L3MBTL1 (0.50) L3MBTL1TDP1HCRTR1KMT2AALDH1A1
SCHEMBL2835444 0.82 LMNA (0.46) L3MBTL1KMT2AALDH1A1HTTNPSR1
SCHEMBL1828863 0.81 CA1 (0.39) L3MBTL1CA1CA2ACHEKMT2A
SCHEMBL1822261 0.81 CA1 (0.39) L3MBTL1CA1CA2ACHEKMT2A
SCHEMBL2835291 0.81 CA1 (0.42) L3MBTL1CA1CA2ACHEKMT2A
SCHEMBL9430235 0.77 KDM4E (0.43) L3MBTL1TDP1KMT2AALDH1A1KDM4E
SCHEMBL1822126 0.77 ALDH1A1 (0.38) L3MBTL1CA1CA2ACHEKMT2A
SCHEMBL6178412 0.77 ALDH1A1 (0.42) L3MBTL1TDP1KMT2AALDH1A1POLB

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 7 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
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 L3MBTL1 2772/4885TDP1 4543/4885CA1 1603/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 L3MBTL1 4827/4885TDP1 4702/4885CA1 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.