SCHEMBL3561812

SCHEMBL3561812

CCCCN(c1ccccc1CCc1ccc(C(=O)O)cc1)S(=O)(=O)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.44
PTGES O14684 2/20 0.41
LMNA P02545 2/20 0.40
RECQL P46063 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
RARB P10826 6/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RARA P10276 1/20 0.38
MAPT P10636 1/20 0.38
MTOR P42345 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL3560865 0.86 ALOX5 (0.57) ALOX5PTGESLMNARAB9ARARB
SCHEMBL3556260 0.84 ALOX5 (0.45) ALOX5PTGESLMNARAB9ARARB
SCHEMBL3564284 0.84 ALOX5 (0.58) ALOX5PTGESLMNARAB9ARARB
SCHEMBL3557378 0.84 ALOX5 (0.58) ALOX5PTGESLMNARAB9AMEN1
SCHEMBL3554627 0.83 ALOX5 (0.57) ALOX5PTGESLMNARAB9AMEN1
SCHEMBL3551722 0.83 ALOX5 (0.47) ALOX5PTGESLMNARARBMEN1
SCHEMBL3555209 0.82 ALOX5 (0.46) ALOX5PTGESLMNARARBMEN1
SCHEMBL3561595 0.82 ALOX5 (0.56) ALOX5PTGESLMNARAB9AMEN1
SCHEMBL3558490 0.82 ALOX5 (0.56) ALOX5PTGESLMNARAB9AMEN1
SCHEMBL5161668 0.82 PTGER1 (0.52) MEN1KMT2A

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 ALOX5 101/4885PTGES 150/4885LMNA 2120/4885

“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.