SCHEMBL3557484

SCHEMBL3557484

O=C(O)c1ccccc1CCc1ccc(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)cs2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.45
HDAC8 Q9BY41 4/20 0.45
HDAC4 P56524 1/20 0.45
GAB1 Q13480 1/20 0.41
HTR6 P50406 1/20 0.41
MCL1 Q07820 2/20 0.41
BCL2A1 Q16548 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SLC16A3 O15427 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ADRB2 P07550 1/20 0.39
ACLY P53396 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
METAP2 P50579 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38

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
SCHEMBL3563480 0.90 HTR6 (0.46) GAB1HTR6SLC16A3ALDH1A1ADRB2
SCHEMBL3555558 0.87 HDAC1 (0.48) HDAC1HDAC8HDAC4GAB1HTR6
SCHEMBL3561797 0.86 HDAC1 (0.45) HDAC1HDAC8HDAC4HTR6MCL1
SCHEMBL3556126 0.86 MEN1 (0.47) GAB1MEN1KMT2ASLC16A3ALDH1A1
SCHEMBL3560665 0.86 MEN1 (0.49) HDAC1HDAC8HDAC4MEN1KMT2A
SCHEMBL3552834 0.82 MEN1 (0.45) GAB1MEN1KMT2ASLC16A3ACLY
SCHEMBL3556577 0.82 HDAC1 (0.60) HDAC1HDAC8HDAC4HTR6MCL1
SCHEMBL3557735 0.82 SLC16A3 (0.45) GAB1MEN1KMT2ASLC16A3ACLY
SCHEMBL3558197 0.82 SLC16A3 (0.60) HDAC1GAB1MEN1KMT2ASLC16A3
SCHEMBL3557405 0.81 LMNA (0.58) HDAC1MCL1BCL2A1MEN1KMT2A

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 HDAC1 1894/4885HDAC8 2985/4885HDAC4 2218/4885

“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.