SCHEMBL3560714

SCHEMBL3560714

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.62
CA9 Q16790 1/20 0.62
ALDH1A1 P00352 6/20 0.57
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
HPGD P15428 3/20 0.57
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 2/20 0.54
GAA P10253 2/20 0.52
PKM P14618 1/20 0.49
SLC16A3 O15427 1/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
ALOX12 P18054 1/20 0.49
LIMK2 P53671 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 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
SCHEMBL3554803 0.92 SLC16A3 (0.57) CA12CA9ALDH1A1MEN1KMT2A
SCHEMBL3556577 0.89 HDAC1 (0.60) ALDH1A1MEN1KMT2APKMHDAC8
SCHEMBL3555641 0.89 KDM4E (0.61) CA12CA9ALDH1A1MEN1KMT2A
SCHEMBL3555671 0.88 METAP2 (0.57) ALDH1A1MEN1KMT2AMAPTHDAC8
SCHEMBL3555122 0.88 ALDH1A1 (0.64) CA12CA9ALDH1A1MEN1KMT2A
SCHEMBL3557166 0.88 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTHDAC8
SCHEMBL3555114 0.88 CA12 (0.58) CA12CA9MEN1KMT2ASLC16A3
SCHEMBL3554424 0.87 UQCRB (0.56) CA9ALDH1A1MEN1KMT2AMAPT
SCHEMBL3558903 0.86 FFAR1 (0.59) ALDH1A1HDAC8HDAC4HDAC1LIMK2
SCHEMBL3553918 0.86 PRMT1 (0.59) ALDH1A1MEN1KMT2ALMNAHDAC8

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 1020/4885ALDH1A1 61/4885

“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.