SCHEMBL2197587

SCHEMBL2197587

O=S(=O)(Oc1cccc(N2CCOCC2)c1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.51
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
AGXT P21549 1/20 0.46
PIK3CA P42336 2/20 0.45
FAAH O00519 1/20 0.44
HSD11B1 P28845 1/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
DRD2 P14416 2/20 0.42
DRD1 P21728 2/20 0.42
DRD4 P21917 2/20 0.42
DRD5 P21918 2/20 0.42
DRD3 P35462 2/20 0.42
AKT1 P31749 1/20 0.42
MTOR P42345 1/20 0.42
HTT P42858 1/20 0.41
PRKDC P78527 1/20 0.41
AKR1C3 P42330 1/20 0.41

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
SCHEMBL29866129 0.81 AGXT (0.50) KMOLMNAPKMTSHRAGXT
SCHEMBL6373267 0.81 PKM (0.48) LMNAPKMTSHRPIK3CAAKT1
SCHEMBL28195870 0.79 PRKDC (0.56) KMOLMNAAGXTPIK3CAFAAH
SCHEMBL14072912 0.77 PKM (0.41) KMOLMNAPKMTSHRPIK3CA
SCHEMBL12470515 0.76 MET (0.45) PIK3CAAKT1MTORAKR1C3
SCHEMBL5178160 0.76 CA1 (0.56) HSD11B1DRD2DRD1DRD4DRD5
SCHEMBL2597677 0.75 LMNA (0.53) KMOLMNATSHRAGXTFAAH
SCHEMBL28518634 0.75 KDM4E (0.44) PIK3CAAKT1MTORAKR1C3ALDH1A1
SCHEMBL4857220 0.75 MAPT (0.55) LMNAPKMALDH1A1SMN1; SMN2
SCHEMBL2198567 0.74 MAPT (0.53) LMNAPKMTSHRDRD2DRD1

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 21 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-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-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

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 KMO 431/4885LMNA 3055/4885PKM 2341/4885
US-20120258964-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C KMO 431/4885LMNA 3055/4885PKM 2341/4885
US-20160122337-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C KMO 431/4885LMNA 3055/4885PKM 2341/4885
US-20060160877-A1 2-Heteroaryl carboxamides GRIN2A, CNR2, GRIN2C KMO 431/4885LMNA 3055/4885PKM 2341/4885
US-20110263591-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C KMO 431/4885LMNA 3055/4885PKM 2341/4885

“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.