SCHEMBL1826065

SCHEMBL1826065

CC(=O)OC(C#N)c1ccc(OS(C)(=O)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38
TSHR P16473 1/20 0.36
CXCR2 P25025 2/20 0.35
CTSC P53634 1/20 0.34
STS P08842 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CXCR1 P25024 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
CA12 O43570 1/20 0.33
PPARA Q07869 3/20 0.33
PPARG P37231 2/20 0.33
ALPL P05186 1/20 0.33
CYP3A4 P08684 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL1824323 0.83 ALDH1A1 (0.42) CTSCSTSALDH1A1SMN1; SMN2ALPL
SCHEMBL1827282 0.82 TDP1 (0.46) ENPP3ENPP1ALDH1A1SMN1; SMN2CA2
SCHEMBL1824824 0.81 ENPP3 (0.35) ENPP3ENPP1CXCR2CTSCALDH1A1
SCHEMBL1822254 0.81 KMT2A (0.46) ENPP3ENPP1ALDH1A1SMN1; SMN2CA2
SCHEMBL1822914 0.78 ALDH1A1 (0.41) ENPP3ENPP1TSHRCXCR2STS
SCHEMBL1824696 0.78 ALDH1A1 (0.42) ENPP3ENPP1TSHRCXCR2STS
SCHEMBL1824263 0.78 ALPL (0.36) ENPP3ENPP1CTSCALDH1A1CA1
SCHEMBL1824770 0.77 ALDH1A1 (0.34) TSHRALDH1A1CA1CA2CYP3A4
SCHEMBL1825730 0.76 TSHR (0.46) ENPP3ENPP1TSHRCXCR2CTSC
SCHEMBL2835326 0.76 ALDH1A1 (0.50) TSHRALDH1A1SMN1; SMN2CYP3A4MAPT

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 ENPP3 3529/4885ENPP1 3768/4885TSHR 1200/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ENPP3 1984/4885ENPP1 2849/4885TSHR 2860/4885

“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.