SCHEMBL2431532

SCHEMBL2431532

Fc1ccc(-c2[c]cccc2C(F)(F)F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 9/20 0.38
SLC22A12 Q96S37 1/20 0.36
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
CYP11B2 P19099 4/20 0.34
TRPA1 O75762 1/20 0.33
CYP11B1 P15538 2/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 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
SCHEMBL2433532 0.81 NR1H2 (0.35) KIF11CYP11B2
SCHEMBL2426847 0.80 CYP11B2 (0.43) HSD17B1HSD17B2CYP11B2PDE3BPDE3A
SCHEMBL9586460 0.80 APP (0.42) HSD17B1HSD17B2
SCHEMBL7569150 0.80 S1PR1 (0.38)
SCHEMBL6513958 0.79 ACHE (0.35)
SCHEMBL2013844 0.79 CYP11B2 (0.33) CYP11B2
SCHEMBL8636681 0.79 HSD11B1 (0.45) HSD17B1HSD17B2CYP11B2TRPA1CYP11B1
SCHEMBL3829054 0.77 KIF11 (0.45) KIF11
SCHEMBL1369135 0.77 KIF11 (0.39) KIF11CYP11B2
SCHEMBL8323540 0.77 NOTUM (0.40) KIF11

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 KIF11 4327/4885SLC22A12 2587/4885HSD17B1 581/4885
US-20120309786-A1 3-AMINO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS GPR119, ABAT, PYGL KIF11 4336/4885SLC22A12 2753/4885HSD17B1 662/4885

“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.