SCHEMBL3553847

SCHEMBL3553847

O=C(O)c1ccc(CCc2ccccc2NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 9/20 0.76
HDAC3 O15379 2/20 0.56
NCOR2 Q9Y618 2/20 0.56
HDAC1 Q13547 1/20 0.56
METAP2 P50579 3/20 0.50
HDAC2 Q92769 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RAB9A P51151 1/20 0.49

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) SLC16A3HDAC3NCOR2HDAC1METAP2
SCHEMBL3554743 0.91 SLC16A3 (0.72) SLC16A3HDAC3NCOR2HDAC1HDAC2
SCHEMBL3567080 0.91 SLC16A3 (0.72) SLC16A3HDAC3NCOR2HDAC1HDAC2
SCHEMBL3555286 0.91 SLC16A3 (0.72) SLC16A3HDAC3NCOR2HDAC1HDAC2
SCHEMBL3564276 0.91 SLC16A3 (0.72) SLC16A3HDAC3NCOR2HDAC1METAP2
SCHEMBL3556734 0.91 SLC16A3 (0.72) SLC16A3HDAC3NCOR2HDAC1METAP2
SCHEMBL3557994 0.91 SLC16A3 (0.72) SLC16A3HDAC3NCOR2HDAC1HDAC2
SCHEMBL3559576 0.89 SLC16A3 (0.69) SLC16A3HDAC3NCOR2HDAC1METAP2
SCHEMBL3559569 0.88 SLC16A3 (0.71) SLC16A3HDAC3NCOR2HDAC1HDAC2
SCHEMBL3557587 0.88 HDAC3 (0.73) 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.