SCHEMBL1822734

SCHEMBL1822734

COC(=O)CC(NCc1ccccc1)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 4/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARG P37231 1/20 0.43
ENPP2 Q13822 1/20 0.42
P2RX7 Q99572 3/20 0.42
ENPP1 P22413 1/20 0.41
KMT2A Q03164 3/20 0.41
ATM Q13315 2/20 0.41
CA12 O43570 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CA9 Q16790 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.40
HTT P42858 1/20 0.40
MMP2 P08253 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
SCHEMBL1823974 0.94 ALDH1A1 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2ENPP2
SCHEMBL1827800 0.92 KMT2A (0.45) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL1826436 0.91 LMNA (0.47) ALDH1A1LMNAMAPTPPARGP2RX7
SCHEMBL1825468 0.91 ENPP2 (0.42) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL1822100 0.90 P2RX7 (0.47) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL1824845 0.88 CA12 (0.45) ALDH1A1LMNAMAPTPPARGENPP2
SCHEMBL4855845 0.87 PKM (0.48) SMN1; SMN2KMT2AATML3MBTL1MEN1
SCHEMBL1825772 0.86 ALDH1A1 (0.44) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL1823743 0.85 PLA2G1B (0.42) ALDH1A1KMT2AMEN1HTT
SCHEMBL1822377 0.84 P2RX7 (0.47) ALDH1A1LMNAPPARGENPP2P2RX7

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 1099/4885LMNA 1802/4885MAPT 4712/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ALDH1A1 1440/4885LMNA 1130/4885MAPT 2237/4885

“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.