SCHEMBL1824312

SCHEMBL1824312

CCC(Cc1cccc(OS(=O)(=O)c2ccc(C)cc2)c1)NC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 0.43
ACACB O00763 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
G6PD P11413 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ENPP1 P22413 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
NR3C2 P08235 1/20 0.40
PLA2G2C Q5R387 1/20 0.40
ALDH1A1 P00352 2/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 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
SCHEMBL1826227 0.88 CTSL (0.52) GPR17GAAMAPTG6PDNPSR1
SCHEMBL1827554 0.87 P2RX7 (0.46) GPR17AKR1C3AKR1C2GAAMAPT
SCHEMBL1828347 0.87 GAA (0.49) GPR17ACACBAKR1C3AKR1C2GAA
SCHEMBL1826839 0.86 ACACB (0.54) ACACBMAPTENPP1KMT2AMEN1
SCHEMBL1824612 0.86 P2RX7 (0.53) P2RX7
SCHEMBL1823790 0.85 TACR1 (0.48) GPR17AKR1C3AKR1C2GAAMAPT
SCHEMBL1821735 0.84 PLAU (0.53) GPR17AKR1C3AKR1C2KMT2AMEN1
SCHEMBL1823435 0.83 L3MBTL1 (0.42) GPR17AKR1C3AKR1C2GAAMAPT
SCHEMBL1822693 0.81 PLAU (0.47) GPR17AKR1C3AKR1C2GAAMAPT
SCHEMBL1828431 0.81 CASP3 (0.41) P2RX7

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 GPR17 4205/4885ACACB 2993/4885AKR1C3 121/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 GPR17 4459/4885ACACB 2259/4885AKR1C3 270/4885

“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.