SCHEMBL1826099

SCHEMBL1826099

COC(=O)C(c1cccc(OS(=O)(=O)c2ccccc2)c1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
ADAMTS4 O75173 1/20 0.46
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ADRB3 P13945 1/20 0.43
PTGS1 P23219 2/20 0.42
PTGS2 P35354 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GPR17 Q13304 1/20 0.41
FAAH O00519 1/20 0.40
ALOX5 P09917 1/20 0.40
F2 P00734 1/20 0.39
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
ENPP2 Q13822 1/20 0.39
KAT6A Q92794 1/20 0.39

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
SCHEMBL1820755 0.90 GPR17 (0.47) KMT2AALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL2839041 0.88 PTGS1 (0.56) KMT2AADAMTS4ALDH1A1SMN1; SMN2ADRB3
SCHEMBL1826450 0.87 ADAMTS4 (0.53) KMT2AADAMTS4ALDH1A1SMN1; SMN2LMNA
SCHEMBL1826073 0.86 SMN1; SMN2 (0.44) KMT2AADAMTS4ALDH1A1SMN1; SMN2ADRB3
SCHEMBL1823156 0.85 LTA4H (0.44) KMT2AALDH1A1ADRB3FAAH
SCHEMBL1824344 0.85 ADRB3 (0.45) KMT2AADAMTS4ALDH1A1SMN1; SMN2ADRB3
SCHEMBL3572153 0.84 KMT2A (0.41) KMT2AADAMTS4ALDH1A1SMN1; SMN2ADRB3
SCHEMBL1828359 0.84 KMT2A (0.46) KMT2AALDH1A1PTGS1PTGS2L3MBTL1
SCHEMBL1823701 0.83 FAAH (0.43) KMT2ASMN1; SMN2ADRB3FAAHF2
SCHEMBL1828838 0.82 PTGS1 (0.50) KMT2AADAMTS4ALDH1A1SMN1; SMN2ADRB3

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 KMT2A 1068/4885ADAMTS4 4799/4885ALDH1A1 1099/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 KMT2A 1084/4885ADAMTS4 4532/4885ALDH1A1 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.