SCHEMBL3554424

SCHEMBL3554424

O=C(O)c1ccccc1CCc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UQCRB P14927 2/20 0.56
HDAC1 Q13547 5/20 0.52
HDAC8 Q9BY41 5/20 0.52
HDAC4 P56524 3/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
HTR6 P50406 1/20 0.51
MCL1 Q07820 1/20 0.51
BCL2A1 Q16548 1/20 0.51
UCHL1 P09936 1/20 0.50
ALOX12 P18054 1/20 0.50
HDAC3 O15379 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49

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) HDAC1HDAC8HDAC4HTR6MCL1
SCHEMBL3554803 0.90 SLC16A3 (0.57) HDAC1HDAC8HDAC4CA1CA2
SCHEMBL3555122 0.89 ALDH1A1 (0.64) HDAC1HDAC8HDAC4CA1CA2
SCHEMBL3555671 0.89 METAP2 (0.57) HDAC1HDAC8HDAC4HTR6POLB
SCHEMBL3562024 0.89 SLC16A3 (0.58) HDAC1HDAC8HDAC4HTR6POLB
SCHEMBL3557166 0.89 ALDH1A1 (0.60) HDAC1HDAC8HDAC4HTR6UCHL1
SCHEMBL3553918 0.89 PRMT1 (0.59) HDAC1HDAC8HDAC4HTR6ALDH1A1
SCHEMBL3558903 0.87 FFAR1 (0.59) HDAC1HDAC8HDAC4HTR6MCL1
SCHEMBL3555641 0.87 KDM4E (0.61) CA1CA2CA9POLBALDH1A1
SCHEMBL3560714 0.87 CA12 (0.62) HDAC1HDAC8HDAC4CA9HTR6

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 UQCRB 162/4885HDAC1 1894/4885HDAC8 2985/4885

“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.