SCHEMBL3580489

SCHEMBL3580489

CCOC(=O)C(CNC(C)=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 4/20 0.44
KMT2A Q03164 5/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 4/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
PPARG P37231 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ENPP2 Q13822 4/20 0.42
ENPP3 O14638 3/20 0.42
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
RECQL P46063 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSP90AA1 P07900 1/20 0.40
STS P08842 1/20 0.40

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
SCHEMBL1826620 0.92 ALDH1A1 (0.46) ENPP1KMT2AALDH1A1MEN1MAPT
SCHEMBL1824335 0.91 SMN1; SMN2 (0.44) ENPP1KMT2AALDH1A1MEN1PPARG
SCHEMBL1826003 0.87 P2RX7 (0.48) ENPP1ALDH1A1MAPTPPARGLMNA
SCHEMBL1826753 0.87 GPR17 (0.42) ENPP1KMT2AGAAALDH1A1MEN1
SCHEMBL1825461 0.86 EGFR (0.44) ENPP1KMT2AGAAALDH1A1MEN1
SCHEMBL1823765 0.84 STS (0.44) KMT2APPARGLMNASMN1; SMN2CA2
SCHEMBL1827079 0.84 P2RX7 (0.51) ENPP1MAPTLMNACA2
SCHEMBL1825011 0.84 ENPP1 (0.42) ENPP1KMT2AGAAALDH1A1MEN1
SCHEMBL1821749 0.82 ENPP1 (0.47) ENPP1KMT2AGAAALDH1A1MEN1
SCHEMBL1823185 0.82 ENPP1 (0.43) ENPP1KMT2AALDH1A1MEN1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US 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 3768/4885KMT2A 1068/4885GAA 2170/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ENPP1 2849/4885KMT2A 1084/4885GAA 98/4885

“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.