SCHEMBL3558035

SCHEMBL3558035

CCCCCCCN(c1ccccc1CCc1ccc(C(=O)O)cc1)S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
F2 P00734 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PTGES O14684 2/20 0.42
ALOX5 P09917 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
MAPT P10636 1/20 0.41
SLC16A3 O15427 2/20 0.41
FABP1 P07148 1/20 0.40
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3562326 0.87 SLC16A3 (0.53) TSHRALDH1A1PTGESALOX5MAPT
SCHEMBL3554681 0.83 SLC16A3 (0.55) TSHRPTGESALOX5SLC16A3
SCHEMBL3553576 0.83 ALOX5 (0.47) ALDH1A1PTGESALOX5MAPTSLC16A3
SCHEMBL3555271 0.82 ALOX5 (0.59) ALDH1A1HPGDPTGESALOX5MAPT
SCHEMBL3558519 0.81 ALOX5 (0.45) ALDH1A1PTGESALOX5MAPTSLC16A3
SCHEMBL3562738 0.81 ALOX5 (0.45) ALDH1A1HPGDPTGESALOX5MAPT
SCHEMBL3555107 0.80 ALOX5 (0.48) ALDH1A1PTGESALOX5MAPT
SCHEMBL3554230 0.80 ALOX5 (0.60) ALDH1A1PTGESALOX5MAPTSMN1; SMN2
SCHEMBL3557949 0.80 ALOX5 (0.60) ALDH1A1PTGESALOX5MAPTSMN1; SMN2
SCHEMBL3555258 0.80 SLC16A3 (0.53) ALDH1A1PTGESALOX5MAPTSLC16A3

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 TSHR 3483/4885ALDH1A1 61/4885HPGD 389/4885

“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.