SCHEMBL3564276

SCHEMBL3564276

CCCc1ccc(S(=O)(=O)Nc2ccccc2CCc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 9/20 0.72
METAP2 P50579 3/20 0.57
HDAC3 O15379 2/20 0.57
NCOR2 Q9Y618 2/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.51
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL3559576 0.93 SLC16A3 (0.69) SLC16A3METAP2HDAC3NCOR2HDAC1
SCHEMBL3564319 0.93 SLC16A3 (0.63) SLC16A3METAP2HDAC3NCOR2HDAC1
SCHEMBL3556734 0.93 SLC16A3 (0.72) SLC16A3METAP2HDAC3NCOR2HDAC1
SCHEMBL3553847 0.91 SLC16A3 (0.76) SLC16A3METAP2HDAC3NCOR2HDAC1
SCHEMBL3554743 0.91 SLC16A3 (0.72) SLC16A3HDAC3NCOR2HDAC1HDAC2
SCHEMBL3555286 0.91 SLC16A3 (0.72) SLC16A3HDAC3NCOR2HDAC1HDAC2
SCHEMBL3557018 0.90 SLC16A3 (0.77) SLC16A3METAP2HDAC3NCOR2HDAC1
SCHEMBL3561760 0.88 SLC16A3 (0.63) SLC16A3METAP2HDAC3NCOR2HDAC1
SCHEMBL3555822 0.88 SLC16A3 (0.66) SLC16A3METAP2HDAC3NCOR2HDAC1
SCHEMBL3552643 0.88 METAP2 (0.63) SLC16A3METAP2HDAC3NCOR2HDAC1

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 425/4885METAP2 2438/4885HDAC3 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.