SCHEMBL1824323

SCHEMBL1824323

CC(=O)OC(C#N)c1cccc(OS(C)(=O)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 1/20 0.42
STS P08842 4/20 0.35
CYP3A4 P08684 1/20 0.35
CTSC P53634 1/20 0.34
PTGS1 P23219 1/20 0.34
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FAAH O00519 1/20 0.33
ALPL P05186 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
SCHEMBL1823219 0.85 ALDH1A1 (0.44) ALDH1A1TDP1PTGS1MEN1CYP2D6
SCHEMBL1828220 0.83 ALDH1A1 (0.35) ALDH1A1TDP1STSCTSCKMT2A
SCHEMBL1826065 0.83 ENPP3 (0.38) ALDH1A1STSCYP3A4CTSCSMN1; SMN2
SCHEMBL1825646 0.83 GPR17 (0.44) ALDH1A1TDP1MEN1KMT2A
SCHEMBL9863162 0.81 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4PTGS1MEN1
SCHEMBL9862906 0.81 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4PTGS1MEN1
SCHEMBL10397026 0.81 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4PTGS1MEN1
SCHEMBL1826367 0.81 ALDH1A1 (0.42) ALDH1A1STSCYP3A4PTGS1SMN1; SMN2
SCHEMBL1826835 0.81 ACHE (0.40) ALDH1A1STSCYP3A4PTGS1MEN1
SCHEMBL1829082 0.80 ALPL (0.36) ALDH1A1TDP1STSCTSCALPL

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 1099/4885TDP1 4543/4885STS 625/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ALDH1A1 1440/4885TDP1 4702/4885STS 131/4885

“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.