SCHEMBL12804347

SCHEMBL12804347

Oc1ccc(F)c2ccc(F)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA3 P07451 1/20 0.56
CA6 P23280 1/20 0.56
CA5A P35218 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
CA5B Q9Y2D0 1/20 0.56
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
ESR1 P03372 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MPI P34949 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IDO1 P14902 3/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
DHFR P00374 1/20 0.36

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
SCHEMBL20356017 0.83 CA3 (0.48) CA3CA6CA5ACA9CA14
SCHEMBL5533437 0.80 CA3 (0.46) CA3CA6CA5ACA9CA14
SCHEMBL16494696 0.74 KDM4E (0.53) CA3CA6CA5ACA9CA14
SCHEMBL484933 0.73 IDO1 (0.68) KDM4EMPIL3MBTL1IDO1HPGD
SCHEMBL31540836 0.73 IDO1 (0.68) KDM4EMPIL3MBTL1IDO1HPGD
SCHEMBL29388776 0.73 IDO1 (0.68) KDM4EMPIL3MBTL1IDO1HPGD
SCHEMBL20967467 0.73 KIF11 (0.40) CA3CA6CA5ACA9CA14
SCHEMBL70273 0.72
SCHEMBL29619760 0.72
SCHEMBL185204 0.72

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
EP-2691393-B1 NOVEL BICYCLIC PYRIDINONES PFIZER (US) 2016-09-14 EP disclosed
US-9067934-B2 Bicyclic pyridinones PFIZER INC. (US) 2015-06-30 US disclosed
US-8697673-B2 Bicyclic pyridinones PFIZER INC. (US) 2014-04-15 US disclosed
US-20140045790-A1 Novel Bicyclic Pyridinones PFIZER INC. (US) 2014-02-13 US disclosed
EP-2691393-A1 NOVEL BICYCLIC PYRIDINONES Pfizer Inc (US) 2014-02-05 EP disclosed
WO-2012131539-A1 NOVEL BICYCLIC PYRIDINONES PFIZER INC. (US) 2012-10-04 WO disclosed
US-20120252758-A1 Novel Bicyclic Pyridinones PFIZER INC. 2012-10-04 US 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-20140045790-A1 Novel Bicyclic Pyridinones CYP2B6, CYP2C19, CYP2D6 CA3 4680/4885CA6 2575/4885CA5A 723/4885
US-20120252758-A1 Novel Bicyclic Pyridinones CYP2B6, CYP2C19, CYP2D6 CA3 4680/4885CA6 2575/4885CA5A 723/4885

“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.