SCHEMBL1824043

SCHEMBL1824043

COC(=O)CC(CNCc1ccccc1)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 4/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARG P37231 1/20 0.41
ENPP2 Q13822 1/20 0.41
P2RX7 Q99572 3/20 0.41
ENPP1 P22413 1/20 0.40
KMT2A Q03164 4/20 0.40
ATM Q13315 2/20 0.39
CA12 O43570 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CA9 Q16790 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 3/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL1823395 0.94 ALDH1A1 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2ENPP2
SCHEMBL3578002 0.92 ALDH1A1 (0.43) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL1823555 0.91 ENPP2 (0.41) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL1826684 0.91 P2RX7 (0.46) ALDH1A1LMNAMAPTPPARGP2RX7
SCHEMBL1823133 0.91 P2RX7 (0.46) ALDH1A1LMNAPPARGENPP2P2RX7
SCHEMBL1826084 0.89 BCHE (0.41) ALDH1A1MAPTKMT2AATMCA12
SCHEMBL1826390 0.87 SMN1; SMN2 (0.43) ALDH1A1LMNASMN1; SMN2PPARGHTT
SCHEMBL1824708 0.85 ADRB3 (0.41) ALDH1A1KMT2AATML3MBTL1MEN1
SCHEMBL1828894 0.85 P2RX7 (0.46) ALDH1A1LMNAPPARGENPP2P2RX7
SCHEMBL1827651 0.85 ADAMTS4 (0.41) ALDH1A1MAPTSMN1; SMN2ENPP2ENPP1

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.