SCHEMBL3559581

SCHEMBL3559581

CC(=O)c1ccc(S(=O)(=O)Nc2ccccc2CCCc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 7/20 0.63
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
HDAC3 O15379 2/20 0.50
NCOR2 Q9Y618 2/20 0.50
HDAC1 Q13547 1/20 0.50
METAP2 P50579 2/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PTGER1 P34995 1/20 0.46
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP19A1 P11511 1/20 0.45
HDAC2 Q92769 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
SCHEMBL3554743 0.93 SLC16A3 (0.72) SLC16A3CA12CA9HDAC3NCOR2
SCHEMBL3557081 0.92 SLC16A3 (0.66) SLC16A3HDAC3NCOR2HDAC1METAP2
SCHEMBL3554675 0.91 SLC16A3 (0.63) SLC16A3CA12CA9HDAC3NCOR2
SCHEMBL3561760 0.91 SLC16A3 (0.63) SLC16A3HDAC3NCOR2HDAC1METAP2
SCHEMBL3563493 0.91 SLC16A3 (0.63) SLC16A3HDAC3NCOR2HDAC1METAP2
SCHEMBL3564319 0.91 SLC16A3 (0.63) SLC16A3HDAC3NCOR2HDAC1METAP2
SCHEMBL3561633 0.90 SLC16A3 (0.64) SLC16A3HDAC3NCOR2HDAC1METAP2
SCHEMBL3552582 0.89 SLC16A3 (0.59) SLC16A3CA12CA9HDAC3NCOR2
SCHEMBL3563695 0.89 SLC16A3 (0.69) SLC16A3CA12CA9METAP2KDM4E
SCHEMBL3556287 0.89 SLC16A3 (0.63) SLC16A3HDAC3NCOR2HDAC1ALDH1A1

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 425/4885CA12 2189/4885CA9 1020/4885

“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.