SCHEMBL3533712

SCHEMBL3533712

O=[N+]([O-])C1(OC(F)F)C=CC(c2ccccc2)C=C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNA4 P22459 1/20 0.33
KCNA1 Q09470 1/20 0.33
KCNAB1 Q14722 1/20 0.33
MEN1 O00255 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8655835 0.74 KCNA4 (0.40) KCNA4KCNA1KCNAB1MEN1CYP2C19
SCHEMBL6155288 0.71 KCNA4 (0.45) KCNA4KCNA1KCNAB1MEN1CYP2C19
SCHEMBL5983432 0.71 KCNA4 (0.38) KCNA4KCNA1KCNAB1MEN1CYP2C19
SCHEMBL2422556 0.71 KCNA4 (0.38) KCNA4KCNA1KCNAB1MEN1CYP2C19
Bicarbonate SCHEMBL21906198 0.70 KCNA4 (0.37) KCNA4KCNA1KCNAB1MEN1CYP2C19
SCHEMBL3389675 0.69 KCNA4 (0.36) KCNA4KCNA1KCNAB1MEN1CYP2C19
SCHEMBL5785392 0.67 KCNA4 (0.35) KCNA4KCNA1KCNAB1MEN1CYP2C19
SCHEMBL6903379 0.67 MEN1 (0.36) KCNA4KCNA1KCNAB1MEN1CYP2C19
SCHEMBL9262727 0.66 SLC10A2 (0.32)
SCHEMBL1577842 0.64 HTR2A (0.41) MEN1CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858644-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2010-12-28 US disclosed
US-20090143437-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2009-06-04 US disclosed
US-7528157-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-05-05 US disclosed
US-7507754-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-03-24 US disclosed
EP-1603893-B1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2008-05-21 EP disclosed
US-20080039502-A1 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2008-02-14 US disclosed
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK ACQUISITION LIMITED (GB) 2007-05-31 US disclosed
US-7196089-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2007-03-27 US disclosed
EP-1603893-A1 EP4 RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2005-12-14 EP disclosed
US-20040192767-A1 EP4 receptor antagonists ASTERAND UK ACQUISITION LIMITED (GB) 2004-09-30 US disclosed
WO-2004067524-A1 EP4 RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2004-08-12 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 (4 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-20090143437-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, NR4A1, NR4A2 KCNA4 497/4885KCNA1 1512/4885KCNAB1 1663/4885
US-20040192767-A1 EP4 receptor antagonists PTGER4, PTGER1, NR4A1 KCNA4 328/4885KCNA1 901/4885KCNAB1 1122/4885
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, NR4A1, PTGER1 KCNA4 468/4885KCNA1 1509/4885KCNAB1 1615/4885
US-20080039502-A1 EP4 receptor antagonists PTGER4, NR4A1, PTGER1 KCNA4 479/4885KCNA1 1503/4885KCNAB1 1593/4885

“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.