SCHEMBL3557524

SCHEMBL3557524

COc1cccc(S(=O)(=O)Nc2ccc(CCc3ccc(C(=O)O)cc3)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.64
HDAC4 P56524 1/20 0.64
HDAC1 Q13547 1/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC2 Q92769 1/20 0.64
HDAC10 Q969S8 1/20 0.64
HDAC11 Q96DB2 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
HDAC9 Q9UKV0 1/20 0.64
HDAC5 Q9UQL6 1/20 0.64
PGR P06401 3/20 0.62
ALDH1A1 P00352 5/20 0.60
PKM P14618 3/20 0.60
LMNA P02545 2/20 0.60
HPGD P15428 1/20 0.58
AKR1C3 P42330 2/20 0.57
SLC16A3 O15427 1/20 0.57
GAA P10253 2/20 0.56
MAPT P10636 2/20 0.56

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
SCHEMBL5329582 0.93 PGR (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3559667 0.92 AKR1C3 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3560653 0.92 AKR1C3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3561961 0.87 PGR (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3561861 0.86 SLC16A3 (0.70) HDAC3HDAC1HDAC2AKR1C3SLC16A3
SCHEMBL3555833 0.86 PGR (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3562112 0.85 TSHR (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3553349 0.84 ALDH1A1 (0.68) HDAC4HDAC1HDAC8ALDH1A1HPGD
SCHEMBL3562818 0.84 AKR1C3 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3558972 0.82 WDR5 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2

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 HDAC3 3383/4885HDAC4 2218/4885HDAC1 1894/4885

“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.