SCHEMBL4072013

SCHEMBL4072013

N#CCS(=O)(=O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 3/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
SLC40A1 Q9NP59 1/20 0.43
NAMPT P43490 3/20 0.41
SERPINE1 P05121 1/20 0.41
PTGES2 Q9H7Z7 2/20 0.40
KDM2B Q8NHM5 1/20 0.40
DDR1 Q08345 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL4073629 0.81 MMP2 (0.50) CYP3A4
SCHEMBL14572884 0.81 KDM2B (0.48) KAT6AHDAC3HDAC4HDAC1HDAC7
SCHEMBL4078410 0.80 HSD11B1 (0.50)
SCHEMBL2376992 0.80 SLC40A1 (0.45) KAT6AHDAC3HDAC4HDAC1HDAC7
SCHEMBL4079385 0.79 KAT6A (0.38) KAT6AHDAC3HDAC4HDAC1HDAC7
SCHEMBL8429719 0.77 CA1 (0.51) HDAC3HDAC11HDAC8HDAC6CYP3A4
SCHEMBL14488990 0.75 CYP1A2 (0.52) KAT6AHDAC3HDAC4HDAC1HDAC7
SCHEMBL9870257 0.75 KAT6A (0.46) KAT6AHDAC3HDAC4HDAC1HDAC7
SCHEMBL2320239 0.74 CA12 (0.42) KAT6AHDAC3HDAC4HDAC1HDAC7
SCHEMBL8075337 0.74 CA2 (0.55) KAT6ASLC40A1PTGES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1625112-B1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY HIGH POINT PHARMACEUTICALS LLC (US) 2009-07-22 EP disclosed
US-20060128662-A1 Novel compounds for treatment of obesity NOVO NORDISK A/S (DK) 2006-06-15 US disclosed
EP-1625112-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2006-02-15 EP disclosed
WO-2004101505-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-11-25 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 (1 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-20060128662-A1 Novel compounds for treatment of obesity GPR119, FABP4, HSD17B4 KAT6A 1539/4885HDAC3 212/4885HDAC4 519/4885

“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.