SCHEMBL4373725

SCHEMBL4373725

Oc1ccc2c(c1)C(O)CC(c1cccc(F)c1F)O2

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.37
CYP3A4 P08684 1/20 0.37
ESR1 P03372 11/20 0.37
ESR2 Q92731 11/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
DPP4 P27487 1/20 0.36
CYP19A1 P11511 2/20 0.34

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
SCHEMBL4361580 0.89 AR (0.41) ARCYP3A4ESR1ESR2DPP4
SCHEMBL4360575 0.86 ESR1 (0.38) ARCYP3A4ESR1ESR2DPP4
SCHEMBL4364042 0.83 HTR2A (0.38) ESR1ESR2HTR2CHTR2BDPP4
SCHEMBL4374191 0.80 KDM1A (0.39) ARCYP3A4ESR1ESR2DPP4
SCHEMBL4366178 0.79 ESR1 (0.41) ARCYP3A4ESR1ESR2CYP19A1
SCHEMBL4363521 0.78 AR (0.41) ARCYP3A4ESR1ESR2
SCHEMBL4364935 0.78 ESR1 (0.41) ARCYP3A4ESR1ESR2HTR2C
SCHEMBL4367671 0.78 ESR1 (0.51) ARCYP3A4ESR1ESR2CYP19A1
SCHEMBL4370031 0.77 ESR2 (0.44) ARESR1ESR2CYP19A1
SCHEMBL4371918 0.77 ESR2 (0.39) ARESR1ESR2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482340-B2 Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORPORATION (FI) 2009-01-27 US disclosed
US-7425568-B2 Compounds, which are potent inhibitors of Na+ /Ca2+ exchange mechanism and are useful in the treatment of arrhythmias ORION CORPORATION (FI) 2008-09-16 US disclosed
US-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system ORION CORPORATION (FI) 2006-10-26 US disclosed
EP-1412343-B1 COMPOUNDS, WHICH ARE POTENT INHIBITORS OF NA+/CA2+ EXCHANGE MECHANISM AND ARE USEFUL IN THE TREATMENT OF ARRHYTHMIAS ORION CORP (FI) 2006-08-30 EP disclosed
US-20040235905-A1 Compounds, which are potent inhibitors of na+ / ca2+ exchange mechanism and are useful in the treatment of arrhythmias ORION CORPORATION (FI) 2004-11-25 US disclosed
EP-1412343-A1 NEW COMPOUNDS, WHICH ARE POTENT INHIBITORS OF NA+/CA2+ EXCHANGE MECHANISM AND ARE USEFUL IN THE TREATMENT OF ARRHYTHMIAS ORION CORPORATION (FI) 2004-04-28 EP disclosed
WO-2003006452-A1 NEW COMPOUNDS, WHICH ARE POTENT INHIBITORS OF NA+/CA2+ EXCHANGE MECHANISM AND ARE USEFUL IN THE TREATMENT OF ARRHYTHMIAS ORION CORPORATION (FI) 2003-01-23 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 (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-20040235905-A1 Compounds, which are potent inhibitors of na+ / ca2+ exchange mechanism and are useful in the treatment of arrhythmias CACNA1E, KCNN4, RYR2 AR 965/4885CYP3A4 679/4885ESR1 3216/4885
US-20060241147-A1 Pyridine derivatives useful for inhibiting sodium/calcium exchange system SLC8B1, CACNA1A, MCU AR 3262/4885CYP3A4 655/4885ESR1 1827/4885

“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.