SCHEMBL3561073

SCHEMBL3561073

O=C(O)c1ccc(CCc2ccccc2NS(=O)(=O)c2c(F)cccc2F)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 9/20 0.65
HDAC3 O15379 2/20 0.47
NCOR2 Q9Y618 2/20 0.47
HDAC1 Q13547 1/20 0.47
TAS2R14 Q9NYV8 2/20 0.45
HDAC2 Q92769 1/20 0.44
AKR1C3 P42330 1/20 0.44
PTK2B Q14289 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LIMK2 P53671 1/20 0.42
ACLY P53396 1/20 0.41
PKM P14618 1/20 0.41
SLC40A1 Q9NP59 1/20 0.41

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
SCHEMBL3566806 0.93 SLC16A3 (0.60) SLC16A3HDAC3NCOR2HDAC1TAS2R14
SCHEMBL3560281 0.88 SLC16A3 (0.74) SLC16A3AKR1C3PTK2BSMN1; SMN2ACLY
SCHEMBL3553224 0.88 SLC16A3 (0.72) SLC16A3HDAC3NCOR2HDAC1TAS2R14
SCHEMBL3551157 0.84 SLC16A3 (0.64) SLC16A3HDAC3NCOR2HDAC1HDAC2
SCHEMBL3557553 0.84 SLC16A3 (0.53) SLC16A3AKR1C3PKMSLC40A1
SCHEMBL3553847 0.84 SLC16A3 (0.76) SLC16A3HDAC3NCOR2HDAC1HDAC2
SCHEMBL3563068 0.84 PKM (0.56) SLC16A3HDAC1PTK2BPKM
SCHEMBL3559474 0.83 SLC16A3 (0.71) SLC16A3HDAC3NCOR2HDAC1TAS2R14
SCHEMBL3556525 0.82 SLC16A3 (0.64) SLC16A3TAS2R14PTK2BSMN1; SMN2LIMK2
SCHEMBL3560891 0.82 SLC16A3 (0.64) SLC16A3HDAC3NCOR2HDAC1HDAC2

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
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US claimed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US claimed
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 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 (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-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes SLC5A1, ALDH7A1, ASS1 SLC16A3 425/4885HDAC3 3383/4885NCOR2 1141/4885

“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.