SCHEMBL3554951

SCHEMBL3554951

CCCCCCCN(c1ccccc1CCc1ccc(C(=O)O)cc1)S(=O)(=O)c1cc(F)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.47
NSD2 O96028 1/20 0.45
ESR1 P03372 1/20 0.45
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
RECQL P46063 1/20 0.45
ESR2 Q92731 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALOX5 P09917 3/20 0.43
PTGES O14684 2/20 0.43
RARB P10826 7/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RARA P10276 1/20 0.39
MAPT P10636 1/20 0.39
MTOR P42345 1/20 0.39
KMT2A Q03164 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL3554947 0.96 SLC16A3 (0.48) SLC16A3NSD2ESR1POLBAPEX1
SCHEMBL3558204 0.90 ALOX5 (0.44) ALOX5PTGESRARBMEN1ALDH1A1
SCHEMBL3558983 0.86 ALOX5 (0.42) SLC16A3POLBALOX5PTGESRARB
SCHEMBL3553576 0.86 ALOX5 (0.47) SLC16A3ALOX5PTGESRARBMEN1
SCHEMBL3556562 0.86 ALOX5 (0.57) ALOX5PTGESRARBTAS2R14
SCHEMBL3563438 0.86 ALOX5 (0.49) ALOX5PTGESRARBMEN1ALDH1A1
SCHEMBL3561326 0.86 ALOX5 (0.45) NSD2ESR1POLBAPEX1RECQL
SCHEMBL3555107 0.83 ALOX5 (0.48) ALOX5PTGESRARBMEN1ALDH1A1
SCHEMBL3555271 0.83 ALOX5 (0.59) L3MBTL1ALOX5PTGESRARBMEN1
SCHEMBL3555950 0.82 TAS2R14 (0.46) SLC16A3ALOX5PTGESRARBMEN1

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 425/4885NSD2 4017/4885ESR1 1966/4885

“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.