SCHEMBL5066699

SCHEMBL5066699

CC(C)Cn1ccc2cc(C(=O)O)ccc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
PLA2G4A P47712 2/20 0.48
B3GNT2 Q9NY97 1/20 0.47
HTR2C P28335 5/20 0.47
HTR2A P28223 4/20 0.47
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
RAPGEF4 Q8WZA2 1/20 0.45
GRIN2D O15399 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
NTSR1 P30989 2/20 0.43

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
SCHEMBL8553607 0.88 B3GNT2 (0.50) KDM4EPLA2G4AB3GNT2HTR2CHTR2A
SCHEMBL698712 0.85 HDAC8 (0.46) PLA2G4AHTR2CHTR2AHDAC11HDAC8
SCHEMBL15971349 0.84 KDM4E (0.55) KDM4EHTR2CHTR2AHDAC11HDAC8
SCHEMBL9032942 0.84 HTR2A (0.41) HTR2CHTR2AHDAC11HDAC8HDAC6
SCHEMBL9032954 0.84 HTR2A (0.41) HTR2CHTR2AHDAC11HDAC8HDAC6
SCHEMBL5387474 0.83 TUBB4A (0.59) KDM4EPLA2G4AHDAC11HDAC8HDAC6
SCHEMBL5068315 0.81 TUBB4A (0.57) KDM4EPLA2G4AHDAC11HDAC8HDAC6
SCHEMBL4934703 0.80 PLA2G4A (0.55) PLA2G4ARAPGEF4
SCHEMBL15921713 0.80 PLA2G4A (0.55) KDM4EPLA2G4AHDAC11HDAC8HDAC6
SCHEMBL28607801 0.80 KMT2A (0.60) PLA2G4ARAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2958913-B1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG CHEMICAL LTD (KR) 2018-10-03 EP disclosed
US-9540362-B2 Sphingosine-1-phosphate receptor agonists, methods of preparing the same, and pharmaceutical compositions containing the same as an active agent LG LIFE SCIENCES LTD. (KR) 2017-01-10 US disclosed
EP-1595866-B1 Cyanopyrrolidines useful for the treatment of inter alia metabolic syndrome SANWA KAGAKU KENKYUSHO CO (JP) 2016-06-08 EP disclosed
US-20150376173-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD. (KR) 2015-12-31 US disclosed
EP-2958913-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG Life Sciences Ltd. (KR) 2015-12-30 EP disclosed
CN-105051037-A Sphingosine-1-phosphate receptor agonists, method for the preparation thereof and pharmaceutical compositions comprising the same as active agent LG LIFE SCIENCES LTD 2015-11-11 CN disclosed
WO-2014129796-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD. (KR) 2014-08-28 WO disclosed
CN-100434420-C Compounds that block dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO (JP) 2008-11-19 CN disclosed
US-7345180-B2 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2008-03-18 US disclosed
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2006-10-12 US disclosed
CN-1745063-A Compound inhibiting dipeptidyl peptidase iv SANWA KAGAKU KENKYUSHO CO (JP) 2006-03-08 CN disclosed
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 EP 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-20150376173-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT S1PR1, S1PR2, S1PR5 KDM4E 2290/4885PLA2G4A 178/4885B3GNT2 3247/4885
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV DPP4, DPP3, DPP7 KDM4E 2352/4885PLA2G4A 4463/4885B3GNT2 872/4885

“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.