SCHEMBL1827591

SCHEMBL1827591

Cc1ccc(S(=O)(=O)Oc2ccc(C(N)(CC(=O)OC(C)C)C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 6/20 0.41
ENPP3 O14638 4/20 0.41
ENPP2 Q13822 4/20 0.41
PPARG P37231 1/20 0.39
P2RX7 Q99572 2/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 2/20 0.39
RECQL P46063 1/20 0.39
KDM4E B2RXH2 1/20 0.37
KDM4A O75164 1/20 0.37
LMNA P02545 1/20 0.36
EGFR P00533 1/20 0.35
HTT P42858 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL1826248 0.91 ADAMTS4 (0.39) ENPP1ENPP3ENPP2P2RX7KMT2A
SCHEMBL1827658 0.91 PPARG (0.42) ENPP1ENPP3ENPP2PPARGP2RX7
SCHEMBL1820860 0.89 PPARG (0.43) ENPP1ENPP3ENPP2PPARGP2RX7
SCHEMBL1826031 0.88 ENPP1 (0.41) ENPP1ENPP3ENPP2PPARGP2RX7
SCHEMBL1827275 0.85 ALDH1A1 (0.35) KMT2AALDH1A1MEN1MAPTCA12
SCHEMBL1822068 0.84 P2RX7 (0.45) ENPP1ENPP2PPARGP2RX7ALDH1A1
SCHEMBL1826498 0.83 P2RX7 (0.51) PPARGP2RX7ALDH1A1MAPTLMNA
SCHEMBL1826492 0.81 TDP1 (0.41) ENPP1ENPP3ENPP2P2RX7KMT2A
SCHEMBL1822336 0.80 ENPP2 (0.35) ENPP1ENPP3ENPP2PPARGP2RX7
SCHEMBL1827341 0.80 HSD11B1 (0.45) ENPP1ENPP3P2RX7KMT2AALDH1A1

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 ENPP1 3768/4885ENPP3 3529/4885ENPP2 3832/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ENPP1 2849/4885ENPP3 1984/4885ENPP2 3966/4885

“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.