SCHEMBL2918638

SCHEMBL2918638

O=S1(=O)C[C]c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.36
PLCG1 P19174 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NOX1 Q9Y5S8 1/20 0.32

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
SCHEMBL3966527 0.78 GPR3 (0.33) GPR3PLCG1MEN1KMT2ANOX1
SCHEMBL3536271 0.78 GPR3 (0.33) GPR3PLCG1MEN1KMT2ANOX1
SCHEMBL520270 0.66 PLCG1 (0.33) GPR3PLCG1MEN1KMT2ANOX1
SCHEMBL2533625 0.64 ABCG2 (0.30)
SCHEMBL3541086 0.64 MEN1 (0.33) PLCG1MEN1KMT2ANOX1
SCHEMBL255966 0.64 GPR3 (0.46) GPR3PLCG1MEN1KMT2ANOX1
SCHEMBL255968 0.64 GPR3 (0.46) GPR3PLCG1MEN1KMT2ANOX1
SCHEMBL9551845 0.62 GPR3 (0.39) GPR3MEN1KMT2ANOX1
SCHEMBL6228752 0.62 GPR3 (0.39) GPR3MEN1KMT2ANOX1
SCHEMBL1450925 0.60 GPR3 (0.37) GPR3MEN1KMT2ANOX1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP claimed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO claimed
EP-0375451-A2 Compounds having a renin-inhibiting activity BEECHAM GROUP PLC (GB) 1990-06-27 EP claimed
US-8785436-B2 1,3-oxazines as BACE 1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-07-22 US disclosed
US-20120295900-A1 1,3-OXAZINES AS BACE 1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 US disclosed
EP-1478624-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-08 EP disclosed
US-7709500-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed
US-7307090-B2 Piperidine derivatives useful as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2007-12-11 US disclosed
US-7265227-B2 Piperidine derivatives useful as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2007-09-04 US disclosed
US-20040176411-A1 Piperidine derivatives useful as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2004-09-09 US disclosed
EP-1430050-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF CHEMOKINE (ESPECIALLY CCR3) ACTIVITY AstraZeneca AB (SE) 2004-06-23 EP disclosed
EP-1412330-A1 PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2004-04-28 EP disclosed
EP-1404667-A1 PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2004-04-07 EP disclosed
WO-2003024962-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF CHEMOKINE (ESPECIALLY CCR3) ACTIVITY ASTRAZENECA AB (SE) 2003-03-27 WO disclosed
WO-2003018556-A1 PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2003-03-06 WO disclosed
WO-2003004487-A1 PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2003-01-16 WO disclosed
EP-0375451-A2 Compounds having a renin-inhibiting activity BEECHAM GROUP PLC (GB) 1990-06-27 EP disclosed
US-3879419-A INSECTICIDES VELSICOL CHEMICAL CORP 1975-04-22 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-20040176411-A1 Piperidine derivatives useful as modulators of chemokine receptor activity CCRL2, CCR1, CCR3 GPR3 35/4885PLCG1 3352/4885MEN1 4043/4885
US-20120295900-A1 1,3-OXAZINES AS BACE 1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 GPR3 1998/4885PLCG1 1562/4885MEN1 3051/4885

“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.