SCHEMBL1823977

SCHEMBL1823977

COC(=O)CC(N)(Cc1ccccc1)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ENPP1 P22413 7/20 0.41
ENPP3 O14638 6/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KDM4A O75164 1/20 0.41
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RECQL P46063 1/20 0.40
MMP1 P03956 2/20 0.40
MMP13 P45452 2/20 0.40
MMP9 P14780 1/20 0.40
ADAMTS4 O75173 1/20 0.39
ENPP2 Q13822 4/20 0.38
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL1822735 0.94 ALDH1A1 (0.45) ALDH1A1ENPP1ENPP3KDM4EKDM4A
SCHEMBL1825774 0.89 HSD11B1 (0.44) ALDH1A1SMN1; SMN2ENPP1ENPP3TDP1
SCHEMBL1824717 0.89 KDM4E (0.39) ALDH1A1SMN1; SMN2ENPP1ENPP3TDP1
SCHEMBL1823744 0.88 MMP1 (0.39) ALDH1A1SMN1; SMN2RECQLMMP1MMP13
SCHEMBL1823040 0.88 TSHR (0.41) ALDH1A1SMN1; SMN2ENPP1ENPP3TDP1
SCHEMBL1824642 0.88 TDP1 (0.40) ALDH1A1SMN1; SMN2ENPP1ENPP3TDP1
SCHEMBL1827801 0.84 ALDH1A1 (0.45) ALDH1A1ENPP1ENPP3MAPTMEN1
SCHEMBL1826439 0.83 LMNA (0.48) ALDH1A1ENPP1MAPTMEN1KMT2A
SCHEMBL1822102 0.83 P2RX7 (0.46) ALDH1A1ENPP1ENPP3KDM4EKDM4A
SCHEMBL1825471 0.82 ENPP1 (0.42) ALDH1A1ENPP1ENPP3KDM4EKDM4A

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 ALDH1A1 1099/4885SMN1; SMN2 2274/4885ENPP1 3768/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ALDH1A1 1440/4885SMN1; SMN2 3216/4885ENPP1 2849/4885

“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.