SCHEMBL3563720

SCHEMBL3563720

CCCCN(c1ccccc1CCc1ccc(C(=O)O)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGES O14684 2/20 0.41
PTPN1 P18031 1/20 0.41
PLK1 P53350 1/20 0.40
PLK3 Q9H4B4 1/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
HCAR3 P49019 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC16A3 O15427 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 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
SCHEMBL3555950 0.87 TAS2R14 (0.46) ALOX5MEN1KMT2APTGESLMNA
SCHEMBL3564284 0.83 ALOX5 (0.58) ALOX5MEN1KMT2APTGESLMNA
SCHEMBL3557378 0.83 ALOX5 (0.58) ALOX5MEN1KMT2APTGESLMNA
SCHEMBL3560865 0.83 ALOX5 (0.57) ALOX5MEN1KMT2APTGESLMNA
SCHEMBL3554681 0.83 SLC16A3 (0.55) ALOX5MEN1KMT2APTGESLMNA
SCHEMBL3553576 0.83 ALOX5 (0.47) ALOX5MEN1KMT2APTGESPLK1
SCHEMBL3554627 0.82 ALOX5 (0.57) ALOX5MEN1KMT2APTGESLMNA
SCHEMBL3563471 0.82 TAS2R14 (0.44) ALOX5PTGESALDH1A1SLC16A3
SCHEMBL3561595 0.82 ALOX5 (0.56) ALOX5MEN1KMT2APTGESLMNA
SCHEMBL3558490 0.82 ALOX5 (0.56) ALOX5MEN1KMT2APTGESLMNA

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 101/4885MEN1 2548/4885KMT2A 4045/4885

“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.