SCHEMBL3556182

SCHEMBL3556182

O=C(O)c1ccc(CCCc2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 5/20 0.68
PTPN1 P18031 1/20 0.54
HDAC3 O15379 2/20 0.52
NCOR2 Q9Y618 2/20 0.52
HDAC2 Q92769 1/20 0.52
METAP2 P50579 3/20 0.49
TAS2R14 Q9NYV8 2/20 0.48
PTGER1 P34995 1/20 0.48
PTGER4 P35408 1/20 0.48
PTGER3 P43115 1/20 0.48
PTGER2 P43116 1/20 0.48
HDAC1 Q13547 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47

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
SCHEMBL3557081 0.92 SLC16A3 (0.66) SLC16A3HDAC3NCOR2METAP2PTGER1
SCHEMBL3561633 0.90 SLC16A3 (0.64) SLC16A3HDAC3NCOR2METAP2PTGER1
SCHEMBL3556287 0.89 SLC16A3 (0.63) SLC16A3HDAC3NCOR2TAS2R14HDAC1
SCHEMBL3559581 0.89 SLC16A3 (0.63) SLC16A3HDAC3NCOR2HDAC2METAP2
SCHEMBL3554675 0.89 SLC16A3 (0.63) SLC16A3HDAC3NCOR2METAP2TAS2R14
SCHEMBL3563493 0.89 SLC16A3 (0.63) SLC16A3HDAC3NCOR2METAP2TAS2R14
SCHEMBL3561760 0.89 SLC16A3 (0.63) SLC16A3HDAC3NCOR2METAP2HDAC1
SCHEMBL3564319 0.89 SLC16A3 (0.63) SLC16A3HDAC3NCOR2HDAC2METAP2
SCHEMBL3559003 0.88 SLC16A3 (0.88) SLC16A3PTPN1HDAC3NCOR2HDAC2
SCHEMBL3563699 0.88 SLC16A3 (0.60) SLC16A3HDAC3NCOR2HDAC2HDAC1

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 425/4885PTPN1 2131/4885HDAC3 3383/4885

“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.