SCHEMBL1825702

SCHEMBL1825702

CC(C)(C)OC(=O)C(NCc1ccccc1)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
P2RX7 Q99572 8/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADAMTS4 O75173 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
KDM4E B2RXH2 1/20 0.39
KDM4A O75164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38

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
SCHEMBL1823843 0.94 P2RX7 (0.50) MEN1KMT2AP2RX7CA12CA1
SCHEMBL1823682 0.89 MEN1 (0.48) MEN1KMT2ACA12CA1CA7
SCHEMBL1827533 0.89 MEN1 (0.60) MEN1KMT2AALDH1A1SMN1; SMN2ADAMTS4
SCHEMBL1826615 0.87 MEN1 (0.48) MEN1KMT2ACA12CA1ALDH1A1
SCHEMBL1823102 0.86 MEN1 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2ADAMTS4
SCHEMBL1827329 0.85 MEN1 (0.46) MEN1KMT2AP2RX7CA12CA1
SCHEMBL1825249 0.84 P2RX7 (0.55) P2RX7
SCHEMBL1826854 0.84 ITGA4 (0.56) MEN1KMT2AP2RX7CA12CA1
SCHEMBL1826855 0.84 ITGA4 (0.56) MEN1KMT2AP2RX7CA12CA1
SCHEMBL1826467 0.83 CTSS (0.50) P2RX7ALDH1A1SMN1; SMN2ADAMTS4TDP1

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

“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.