SCHEMBL5557265

SCHEMBL5557265

COc1ccc2cc(CCOS(C)(=O)=O)sc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.51
PTGS2 P35354 1/20 0.43
BACE1 P56817 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
SLC2A1 P11166 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 1/20 0.35
PDK1 Q15118 1/20 0.35
HTR2A P28223 1/20 0.35
ALK Q9UM73 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CA12 O43570 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CA1 P00915 1/20 0.34
CA3 P07451 1/20 0.34

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
SCHEMBL4850479 0.83 HDAC3 (0.39) CA2CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL5557274 0.81 CA2 (0.51) CA2PTGS2SLC2A1CYP1A2CYP3A4
SCHEMBL4850745 0.80 CYP2A6 (0.47) CA2PTGS2
SCHEMBL30416457 0.79 CA2 (0.50) CA2BACE1PDE3BPDE3ACYP1A2
SCHEMBL4445648 0.78 CA2 (0.49) CA2BACE1PDE3BPDE3ACYP1A2
SCHEMBL5553012 0.77 CA2 (0.48) CA2PTGS2BACE1PDE3BPDE3A
SCHEMBL5553145 0.77 CA2 (0.48) CA2BACE1PDE3BPDE3ACYP1A2
SCHEMBL5243924 0.75 CA2 (0.51) CA2BACE1PDE3BPDE3ACYP1A2
SCHEMBL4415170 0.74 AKR1C2 (0.56) CA2CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL29239834 0.74 CA2 (0.57) CA2BACE1PDE3BPDE3ACYP1A2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1117667-B1 BENZOTHIENO[3,2-c]PYRIDINES AS ALPHA2 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2007-05-30 EP disclosed
US-6774129-B2 ALPHA 2-ADRENOCEPTOR ANTAGONISTS; ANTIDEPRESSANTS AND TREATING PARKINSON'S DISEASE JANSSEN PHARMACEUTICA N.V. (BE) 2004-08-10 US disclosed
EP-1119570-B1 TRICYCLIC DELTA3-PIPERIDINES AS PHARMACEUTICALS JANSSEN PHARMACEUTICA NV (BE) 2004-06-16 EP disclosed
EP-1140934-B1 BENZISOXAZOLES AND PHENONES AS ALPHA-2-ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2003-10-08 EP disclosed
US-6576640-B1 Rapidly penetration into central nervous system; treating noradrenaline deficiency; depression, Parkinson's disease JANSSEN PHARMACEUTICA N.V. (BE) 2003-06-10 US disclosed
US-20020169178-A1 Benzothieno[3,2-c]pyridines as alpha2 antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2002-11-14 US disclosed
US-6426350-B1 ALPHA-2 ADRENOCEPTOR ANTAGONISTS; USE TREATING NERVOUS SYSTEM DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2002-07-30 US disclosed
US-6352999-B1 DRUGS FOR NERVOUS SYSTEM DISORDERS, PARKINSON'S DISEASE AND ANTIDEPRESSANTS JANSSEN PHARMACEUTICA N.V. (BE) 2002-03-05 US disclosed
EP-1140934-A1 BENZISOXAZOLES AND PHENONES AS $g(a) 2?-ANTAGONISTS Janssen Pharmaceutica N.V. (BE) 2001-10-10 EP disclosed
EP-1119570-A1 TRICYCLIC DELTA3-PIPERIDINES AS PHARMACEUTICALS JANSSEN PHARMACEUTICA N.V. (BE) 2001-08-01 EP disclosed
EP-1117667-A1 BENZOTHIENO[3,2-c]PYRIDINES AS ALPHA2 ANTAGONISTS Janssen Pharmaceutica N.V. (BE) 2001-07-25 EP disclosed
WO-2000037466-A1 BENZISOXAZOLES AND PHENONES AS α2-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2000-06-29 WO disclosed
WO-2000020423-A1 TRICYCLIC Δ3-PIPERIDINES AS PHARMACEUTICALS JANSSEN PHARMACEUTICA N.V. (BE) 2000-04-13 WO disclosed
WO-2000020422-A1 BENZOTHIENO[3,2-c]PYRIDINES AS α2 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2000-04-13 WO 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 (1 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-20020169178-A1 Benzothieno[3,2-c]pyridines as alpha2 antagonists ADRB2, ADRB1, ADRA1D CA2 562/4885PTGS2 359/4885BACE1 1244/4885

“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.