SCHEMBL560870

SCHEMBL560870

O=S1(=O)[CH]Cc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.37
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
FFAR1 O14842 2/20 0.33
FFAR4 Q5NUL3 2/20 0.33
CYP1A2 P05177 2/20 0.33
NOX1 Q9Y5S8 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PLCG1 P19174 1/20 0.31
TSHR P16473 1/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA4 P22748 2/20 0.30
CA7 P43166 2/20 0.30
CA9 Q16790 2/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL12601427 0.77 GPR3 (0.34) GPR3KMT2AMEN1CYP1A2NOX1
SCHEMBL1463955 0.77 GPR3 (0.34) GPR3KMT2AMEN1CYP1A2NOX1
SCHEMBL560871 0.71 ORAI1 (0.33) TSHR
SCHEMBL349152 0.68 CA12 (0.42) GPR3KMT2AMEN1CYP1A2NOX1
SCHEMBL7819928 0.67 GPR3 (0.33) GPR3KMT2AMEN1CYP1A2NOX1
SCHEMBL27595871 0.67 PLCG1 (0.36) GPR3KMT2AMEN1CYP1A2NOX1
SCHEMBL15185045 0.67 MAOA (0.37) GPR3KMT2AMEN1CYP1A2MAPT
SCHEMBL30951022 0.67 GPR3 (0.71) GPR3KMT2AMEN1NOX1MAPT
SCHEMBL88079 0.67
SCHEMBL3280918 0.67 GPR3 (0.71) GPR3KMT2AMEN1NOX1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9926319-B2 Pyridyl piperidines MERCK PATENT GMBH (DE) 2018-03-27 US claimed
US-8076488-B2 Antiproliferative agents; angiogenesis inhibitors; anticancer agents BAYER HEALTHCARE LLC (US) 2011-12-13 US claimed
US-20100105714-A1 Furanone Compounds and Methods of Making and Using The Same BIOGEN IDEC MA INC. (US) 2010-04-29 US claimed
US-20100035918-A1 Imidazolone Compounds and Methods of Making and Using the Same BIOGEN IDEC MA INC (US) 2010-02-11 US claimed
EP-2121669-A2 FURANONE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA, Inc. (US) 2009-11-25 EP claimed
WO-2008094574-A2 FURANONE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2008-08-07 WO claimed
US-20070275968-A1 Substituted Biphenyl Derivative SANKYO COMPANY, LIMITED (JP) 2007-11-29 US claimed
EP-1798229-A1 SUBSTITUTED BIPHENYL DERIVATIVE Sankyo Company, Limited (JP) 2007-06-20 EP claimed
US-20060063809-A1 Tri-substituted heteroaryls and methods of making and using the same BIOGEN MA INC. 2006-03-23 US claimed
US-20050038031-A1 Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC 2005-02-17 US claimed
EP-1499308-A2 TRI-SUBSTITUTED HETEROARYLS AND METHODS OF MAKING AND USING THE SAME BIOGEN, INC. (US) 2005-01-26 EP claimed
WO-2003087304-A2 TRI-SUBSTITUTED HETEROARYLS AND METHODS OF MAKING AND USING THE SAME BIOGEN, INC. (US) 2003-10-23 WO claimed
CN-117881667-A Herbicide malonamides containing a condensed ring system 巴斯夫欧洲公司 2024-04-12 CN disclosed
EP-1663973-B3 2-PYRIDONE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2019-09-25 EP disclosed
US-9926319-B2 Pyridyl piperidines MERCK PATENT GMBH (DE) 2018-03-27 US disclosed
US-20170107222-A1 PYRIDYL PIPERIDINES MERCK PATENT GMBH (DE) 2017-04-20 US disclosed
WO-2003087304-A2 TRI-SUBSTITUTED HETEROARYLS AND METHODS OF MAKING AND USING THE SAME BIOGEN, INC. (US) 2003-10-23 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20050038031-A1 Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders CCNC, UACA, SLC14A1 GPR3 2597/4885KMT2A 1811/4885MEN1 2620/4885
US-20100035918-A1 Imidazolone Compounds and Methods of Making and Using the Same ALK, BMP2K, ACVR1 GPR3 1511/4885KMT2A 2330/4885MEN1 3014/4885
US-20060063809-A1 Tri-substituted heteroaryls and methods of making and using the same ALK, ACVR1, ACVRL1 GPR3 194/4885KMT2A 642/4885MEN1 3224/4885
US-20100105714-A1 Furanone Compounds and Methods of Making and Using The Same ALK, ACVR1, ACVR1B GPR3 916/4885KMT2A 3754/4885MEN1 1751/4885
US-20070275968-A1 Substituted Biphenyl Derivative COL2A1, COL1A1, FGFR3 GPR3 384/4885KMT2A 1587/4885MEN1 3828/4885
US-20170107222-A1 PYRIDYL PIPERIDINES WNT1, CTNNB1, WNT3 GPR3 2520/4885KMT2A 2950/4885MEN1 3601/4885

“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.