SCHEMBL1828033

SCHEMBL1828033

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
PPARG P37231 1/20 0.39
ENPP1 P22413 4/20 0.38
ENPP2 Q13822 4/20 0.38
ENPP3 O14638 3/20 0.38
GAA P10253 1/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 2/20 0.33
EGFR P00533 2/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL1825589 0.93 KMT2A (0.42) P2RX7MEN1KMT2AALDH1A1MAPT
SCHEMBL1828010 0.91 ADAMTS4 (0.38) P2RX7ALDH1A1MAPTENPP1ENPP2
SCHEMBL1826229 0.90 P2RX7 (0.41) P2RX7MEN1KMT2AALDH1A1MAPT
SCHEMBL1826975 0.90 MEN1 (0.40) P2RX7MEN1KMT2AALDH1A1MAPT
SCHEMBL1827965 0.86 P2RX7 (0.37) P2RX7MEN1KMT2AALDH1A1MAPT
SCHEMBL1826527 0.86 ALDH1A1 (0.34) ALDH1A1PPARGSMN1; SMN2
SCHEMBL1826945 0.85 P2RX7 (0.51) P2RX7MAPTLMNA
SCHEMBL1826221 0.85 KMT2A (0.40) P2RX7MEN1KMT2AALDH1A1MAPT
SCHEMBL3576720 0.84 P2RX7 (0.44) P2RX7MEN1KMT2AALDH1A1MAPT
SCHEMBL1825582 0.83 P2RX7 (0.38) P2RX7MEN1KMT2AALDH1A1MAPT

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 P2RX7 3606/4885MEN1 421/4885KMT2A 1068/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 P2RX7 2747/4885MEN1 183/4885KMT2A 1084/4885

“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.