SCHEMBL3554947

SCHEMBL3554947

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.48
POLB P06746 2/20 0.46
NSD2 O96028 1/20 0.46
ESR1 P03372 1/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
ESR2 Q92731 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALOX5 P09917 3/20 0.42
PTGES O14684 2/20 0.39
TAS2R14 Q9NYV8 4/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
LTB4R2 Q9NPC1 2/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGER1 P34995 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
SCHEMBL3554951 0.96 SLC16A3 (0.47) SLC16A3POLBNSD2ESR1APEX1
SCHEMBL3558983 0.90 ALOX5 (0.42) SLC16A3POLBALOX5PTGESTAS2R14
SCHEMBL3558204 0.86 ALOX5 (0.44) ALOX5PTGESTAS2R14LTB4R2MEN1
SCHEMBL3555950 0.86 TAS2R14 (0.46) SLC16A3ALOX5PTGESTAS2R14LTB4R2
SCHEMBL3561608 0.85 TAS2R14 (0.48) L3MBTL1ALOX5PTGESTAS2R14LTB4R2
SCHEMBL3553537 0.85 ALOX5 (0.43) POLBNSD2ESR1APEX1RECQL
SCHEMBL3561142 0.83 ALOX5 (0.44) SLC16A3L3MBTL1ALOX5PTGESTAS2R14
SCHEMBL3555209 0.83 ALOX5 (0.46) ESR1ALOX5PTGESTAS2R14LPAR1
SCHEMBL3560865 0.82 ALOX5 (0.57) ESR1TDP1L3MBTL1ALOX5PTGES
SCHEMBL3556562 0.82 ALOX5 (0.57) ALOX5PTGESTAS2R14RARB

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 3962/4885NSD2 4017/4885

“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.