SCHEMBL2431534

SCHEMBL2431534

Fc1ccc(-c2cc[c]cc2C(F)(F)F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
KIF11 P52732 9/20 0.38
AR P10275 1/20 0.36
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
TRPA1 O75762 2/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33

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
SCHEMBL29072393 0.86 PTGS2 (0.39) PDE3BPDE3AKIF11ARTRPA1
SCHEMBL2433534 0.81 PDE3B (0.36) PDE3BPDE3AKIF11ARTRPA1
SCHEMBL6513960 0.79 PDE3B (0.37) PDE3BPDE3AAR
SCHEMBL2013845 0.79 AR (0.32) KIF11ARTRPA1
SCHEMBL2426849 0.79 CYP11B2 (0.42) PDE3BPDE3AARCYP11B2TRPA1
SCHEMBL9586467 0.79 APP (0.43) KIF11AR
SCHEMBL14483362 0.78 GLA (0.38)
SCHEMBL3636363 0.77 KIF11 (0.41) KIF11AR
SCHEMBL1274101 0.77 KIF11 (0.40) PDE3BPDE3AKIF11CYP11B1CYP11B2
SCHEMBL2052768 0.77 PDE3B (0.39) PDE3BPDE3AARTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013182433-A1 A PROCESS USING GRIGNARD REAGENTS BASF SE (DE) 2013-12-12 WO disclosed
US-20130040988-A1 3-AMINO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS Piramal Enterprises Limited (IN) 2013-02-14 US disclosed
EP-2547687-A1 A PROCESS USING GRIGNARD REAGENTS BASF SE (DE) 2013-01-23 EP disclosed
US-20120309786-A1 3-AMINO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS Piramal Enterprises Limited (IN) 2012-12-06 US disclosed
EP-2513067-A1 METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF BASF SE (DE) 2012-10-24 EP disclosed
US-8269010-B2 3-amino-pyridine derivatives for the treatment of metabolic disorders PIRAMAL HEALTHCARE LIMITED (IN) 2012-09-18 US disclosed
WO-2011113820-A1 A PROCESS USING GRIGNARD REAGENTS BASF SE (DE) 2011-09-22 WO disclosed
EP-2094687-A1 3 -AMINO- PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS Piramal Life Sciences Limited (IN) 2009-09-02 EP disclosed
WO-2008035306-A1 3 -AMINO- PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS PIRAMAL LIFE SCIENCES LIMITED (IN) 2008-03-27 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-20130040988-A1 3-AMINO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS GPR119, ABAT, GOT2 PDE3B 1008/4885PDE3A 848/4885KIF11 4327/4885
US-20120309786-A1 3-AMINO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS GPR119, ABAT, PYGL PDE3B 904/4885PDE3A 767/4885KIF11 4336/4885

“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.