SCHEMBL2838458

SCHEMBL2838458

Cc1ccc(S(=O)(=O)Oc2ccc(C(C)C(=O)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
PPARG P37231 1/20 0.52
ENPP2 Q13822 4/20 0.48
ENPP1 P22413 4/20 0.48
ENPP3 O14638 3/20 0.48
AKR1C3 P42330 4/20 0.48
AKR1C2 P52895 4/20 0.48
ADAMTS4 O75173 1/20 0.47
LMNA P02545 1/20 0.46
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
EGFR P00533 1/20 0.44
PTGS2 P35354 3/20 0.43
PTGS1 P23219 2/20 0.43
CDC42 P60953 1/20 0.43
RAC1 P63000 1/20 0.43

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
SCHEMBL1823684 0.91 KMT2A (0.52) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL2835298 0.88 ADAMTS4 (0.55) MEN1KMT2AALDH1A1MAPTENPP2
SCHEMBL1345199 0.88 ADAMTS4 (0.55) MEN1KMT2AALDH1A1MAPTENPP2
SCHEMBL1345327 0.88 ADAMTS4 (0.55) MEN1KMT2AALDH1A1MAPTENPP2
SCHEMBL1824947 0.87 KMT2A (0.51) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL1823160 0.86 KMT2A (0.50) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL1824525 0.85 KMT2A (0.49) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL2838600 0.83 PTGS1 (0.56) MEN1KMT2AALDH1A1MAPTPPARG
SCHEMBL1824586 0.83 KMT2A (0.56) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL1826788 0.82 KMT2A (0.47) MEN1KMT2AALDH1A1MAPTHTT

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 MEN1 421/4885KMT2A 1068/4885ALDH1A1 1099/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 MEN1 183/4885KMT2A 1084/4885ALDH1A1 1440/4885

“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.