SCHEMBL3553324

SCHEMBL3553324

CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(CCc3cccc(C(=O)O)c3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.50
POLB P06746 2/20 0.48
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.47
CYP2C9 P11712 1/20 0.47
RAB9A P51151 1/20 0.47
IKBKB O14920 1/20 0.47
GHSR Q92847 2/20 0.46
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HDAC3 O15379 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44

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
SCHEMBL3564554 0.93 IKBKB (0.56) SLC16A3POLBALDH1A1MEN1KMT2A
SCHEMBL3556254 0.90 IKBKB (0.58) SLC16A3POLBALDH1A1MEN1KMT2A
SCHEMBL3563018 0.90 IKBKB (0.55) POLBMEN1KMT2AIKBKBMAPT
SCHEMBL3555158 0.89 CA12 (0.53) ALDH1A1MEN1KMT2AGHSRMAPT
SCHEMBL3555180 0.87 ALDH1A1 (0.57) SLC16A3POLBALDH1A1MEN1KMT2A
SCHEMBL3555334 0.87 KAT6A (0.56) SLC16A3POLBALDH1A1MEN1KMT2A
SCHEMBL3554311 0.86 SLC16A3 (0.55) SLC16A3POLBMEN1KMT2AMAPT
SCHEMBL3556522 0.85 SLC16A3 (0.58) SLC16A3POLBALDH1A1MEN1KMT2A
SCHEMBL3556877 0.85 SLC16A3 (0.71) SLC16A3POLBMEN1KMT2ANPC1
SCHEMBL3555360 0.85 FFAR1 (0.59) SLC16A3POLBALDH1A1MEN1KMT2A

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 425/4885POLB 3962/4885ALDH1A1 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.