SCHEMBL1826318

SCHEMBL1826318

Cc1ccc(S(=O)(=O)Oc2ccccc2CC(C)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
GAA P10253 2/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
DHODH Q02127 1/20 0.43
CYP3A4 P08684 2/20 0.42
P2RX7 Q99572 2/20 0.42
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 3/20 0.41
MAPK1 P28482 2/20 0.41
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
HSD11B1 P28845 1/20 0.41

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
SCHEMBL1825996 0.85 DHODH (0.46) ALDH1A1MEN1KMT2AGAAESR1
SCHEMBL1828715 0.83 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AGAAESR1
SCHEMBL1826507 0.81 LMNA (0.44) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL6987499 0.81 LMNA (0.44) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL1827496 0.81 P2RX7 (0.54) ALDH1A1TSHRGAAP2RX7CA2
SCHEMBL1827050 0.79 CASP3 (0.46) ALDH1A1MEN1KMT2AGAAESR1
SCHEMBL1821715 0.79 P2RX7 (0.47) ALDH1A1TSHRKMT2AGAAP2RX7
SCHEMBL1825895 0.79 ALDH1A1 (0.43) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL1826037 0.77 LMNA (0.42) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL2545093 0.77 CA2 (0.47) ALDH1A1TSHRMEN1KMT2AGAA

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 1099/4885TSHR 1200/4885MEN1 421/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ALDH1A1 1440/4885TSHR 2860/4885MEN1 183/4885

“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.