SCHEMBL1824845

SCHEMBL1824845

CCC(NCc1ccccc1)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
ATM Q13315 1/20 0.45
CA9 Q16790 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
ENPP1 P22413 1/20 0.43
LMNA P02545 1/20 0.42
KCNA5 P22460 3/20 0.42
PPARG P37231 1/20 0.41
ENPP2 Q13822 1/20 0.41
P2RX7 Q99572 1/20 0.41
AR P10275 1/20 0.40
CHRM2 P08172 1/20 0.40
CNR2 P34972 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
SCHEMBL1822734 0.88 ALDH1A1 (0.43) CA12CYP1A2CYP3A4ATMCA9
SCHEMBL1827800 0.86 KMT2A (0.45) ALDH1A1KMT2AMEN1MAPTENPP1
SCHEMBL1823691 0.86 SMN1; SMN2 (0.57) CA12CYP1A2CYP3A4ATMCA9
SCHEMBL1826436 0.83 LMNA (0.47) CA12ALDH1A1MAPTLMNAPPARG
SCHEMBL1825468 0.83 ENPP2 (0.42) CA12CYP1A2CYP3A4ATMCA9
SCHEMBL1824172 0.83 P2RX7 (0.46) CA12CYP1A2CYP3A4ATMCA9
SCHEMBL1822100 0.82 P2RX7 (0.47) CA12CA9ALDH1A1KMT2AMAPT
SCHEMBL1826184 0.82 KMT2A (0.46) CA12CYP1A2CYP3A4ATMCA9
SCHEMBL1824571 0.81 CA12 (0.45) CA12CYP1A2CYP3A4ATMCA9
SCHEMBL1825040 0.81 KMT2A (0.55) CA12CYP1A2CYP3A4ATMCA9

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 CA12 1498/4885CYP1A2 22/4885CYP3A4 45/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CA12 670/4885CYP1A2 14/4885CYP3A4 15/4885

“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.