SCHEMBL3554803

SCHEMBL3554803

O=C(O)c1ccc(S(=O)(=O)Nc2ccc(CCc3ccccc3C(=O)O)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 3/20 0.57
CA12 O43570 2/20 0.54
CA9 Q16790 2/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
HDAC1 Q13547 3/20 0.52
HDAC8 Q9BY41 3/20 0.52
HDAC4 P56524 1/20 0.52
TSHR P16473 1/20 0.51
HTR6 P50406 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 1/20 0.51
LIMK2 P53671 2/20 0.50
LIMK1 P53667 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL3556577 0.92 HDAC1 (0.60) HDAC1HDAC8HDAC4HTR6MEN1
SCHEMBL3560714 0.92 CA12 (0.62) SLC16A3CA12CA9HDAC1HDAC8
SCHEMBL3554424 0.90 UQCRB (0.56) CA9CA1CA2HDAC1HDAC8
SCHEMBL3555671 0.89 METAP2 (0.57) HDAC1HDAC8HDAC4HTR6MEN1
SCHEMBL3553918 0.89 PRMT1 (0.59) HDAC1HDAC8HDAC4HTR6MEN1
SCHEMBL3557166 0.89 ALDH1A1 (0.60) HDAC1HDAC8HDAC4HTR6MEN1
SCHEMBL3555122 0.89 ALDH1A1 (0.64) CA12CA9CA1CA2HDAC1
SCHEMBL3562024 0.89 SLC16A3 (0.58) SLC16A3HDAC1HDAC8HDAC4HTR6
SCHEMBL3555641 0.87 KDM4E (0.61) CA12CA9CA1CA2MEN1
SCHEMBL3558903 0.87 FFAR1 (0.59) HDAC1HDAC8HDAC4HTR6POLB

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.