SCHEMBL2196571

SCHEMBL2196571

O=C(c1ccc(OS(=O)(=O)C(F)(F)F)cc1)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.57
MLYCD O95822 1/20 0.57
HPGD P15428 6/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PHGDH O43175 1/20 0.54
TSHR P16473 1/20 0.51
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 1/20 0.50
HDAC4 P56524 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
AKR1C3 P42330 1/20 0.49

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
Potassium Ion SCHEMBL28016069 0.94 MAPK1 (0.52) EPHX2MLYCDHPGDMAPK1L3MBTL1
SCHEMBL31530210 0.79 MAPK1 (0.50) EPHX2MLYCDHPGDMAPK1L3MBTL1
SCHEMBL10720943 0.78 PHGDH (0.81) EPHX2MLYCDHPGDMAPK1L3MBTL1
SCHEMBL1447539 0.78 ALDH1A1 (0.57) L3MBTL1TSHRLMNAALDH1A1POLB
SCHEMBL519242 0.78 PHGDH (0.61) EPHX2MLYCDHPGDMAPK1L3MBTL1
SCHEMBL18704510 0.77 PHGDH (0.59) EPHX2MLYCDHPGDMAPK1L3MBTL1
SCHEMBL31530428 0.76 ALDH1A1 (0.74) HPGDMAPK1L3MBTL1LMNAALDH1A1
SCHEMBL13392240 0.76 ALDH1A1 (0.47) HPGDTSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL9792247 0.76 HPGD (0.79) HPGDL3MBTL1PHGDHTSHRLMNA
SCHEMBL31499366 0.76 EPHX2 (0.79) EPHX2MLYCDHPGDMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160122337-A1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2016-05-05 US disclosed
US-20160122337-A1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2016-05-05 US disclosed
US-20160122337-A1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2016-05-05 US disclosed
US-9067931-B2 2-heteroaryl carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
US-9067931-B2 2-heteroaryl carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
US-9067931-B2 2-heteroaryl carboxamides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
US-20140350008-A1 2-HETEROARYL CARBOXAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-27 US disclosed
US-20140350008-A1 2-HETEROARYL CARBOXAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-27 US disclosed
US-20140350008-A1 2-HETEROARYL CARBOXAMIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-27 US disclosed
US-20120258964-A1 2-HETEROARYL CARBOXAMIDES BAYER SCHERING PHARMA AG (DE) 2012-10-11 US disclosed
US-20110263591-A1 2-HETEROARYL CARBOXAMIDES BAYER SCHERING PHARMA AG (DE) 2011-10-27 US disclosed
US-20110263591-A1 2-HETEROARYL CARBOXAMIDES BAYER SCHERING PHARMA AG (DE) 2011-10-27 US disclosed
US-7977485-B2 2-heteroaryl carboxamides BAYER SCHERING PHARMA AKTIENGESELLSHAFT (DE) 2011-07-12 US disclosed
US-7977485-B2 2-heteroaryl carboxamides BAYER SCHERING PHARMA AKTIENGESELLSHAFT (DE) 2011-07-12 US disclosed
US-7977485-B2 2-heteroaryl carboxamides BAYER SCHERING PHARMA AKTIENGESELLSHAFT (DE) 2011-07-12 US disclosed
EP-1515967-B1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2006-11-02 EP disclosed
US-20060160877-A1 2-Heteroaryl carboxamides BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-20 US disclosed
CN-1675204-A 2-heteroaryl carboxamides BAYER HEALTHCARE AG (DE) 2005-09-28 CN disclosed
EP-1515967-A1 2-HETEROARYL CARBOXAMIDES Bayer HealthCare AG (DE) 2005-03-23 EP disclosed
WO-2003104227-A1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2003-12-18 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 (5 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-20140350008-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C EPHX2 1980/4885MLYCD 987/4885HPGD 2187/4885
US-20120258964-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C EPHX2 1980/4885MLYCD 987/4885HPGD 2187/4885
US-20160122337-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C EPHX2 1980/4885MLYCD 987/4885HPGD 2187/4885
US-20060160877-A1 2-Heteroaryl carboxamides GRIN2A, CNR2, GRIN2C EPHX2 1980/4885MLYCD 987/4885HPGD 2187/4885
US-20110263591-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C EPHX2 1980/4885MLYCD 987/4885HPGD 2187/4885

“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.