SCHEMBL3554531

SCHEMBL3554531

CC(=O)c1ccc(S(=O)(=O)Nc2ccccc2CCCc2ccccc2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
SLC16A3 O15427 9/20 0.52
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.46
BDKRB1 P46663 1/20 0.46
METAP2 P50579 1/20 0.46

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
SCHEMBL3556080 0.97 SLC16A3 (0.56) CA12CA9SLC16A3KDM4EALDH1A1
SCHEMBL3559366 0.95 SLC16A3 (0.56) CA12CA9SLC16A3KDM4EALDH1A1
SCHEMBL3558585 0.92 SLC16A3 (0.58) SLC16A3KDM4EALDH1A1MEN1KMT2A
SCHEMBL3554581 0.89 KDM4E (0.54) SLC16A3KDM4EALDH1A1MEN1KMT2A
SCHEMBL3561988 0.88 SLC16A3 (0.59) SLC16A3KDM4EALDH1A1POLBMETAP2
SCHEMBL3559581 0.87 SLC16A3 (0.63) CA12CA9SLC16A3KDM4EALDH1A1
SCHEMBL3555224 0.87 ACLY (0.55) CA9SLC16A3KDM4EALDH1A1MEN1
SCHEMBL3562564 0.87 SLC16A3 (0.64) SLC16A3KDM4EALDH1A1MEN1KMT2A
SCHEMBL3560826 0.86 BDKRB1 (0.61) MEN1KMT2ABDKRB1
SCHEMBL3563695 0.86 SLC16A3 (0.69) CA12CA9SLC16A3KDM4EMEN1

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 CA12 2189/4885CA9 1020/4885SLC16A3 425/4885

“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.