SCHEMBL3554388

SCHEMBL3554388

O=C(O)c1ccc(CCCc2ccccc2NS(=O)(=O)Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 8/20 0.56
PTGER1 P34995 1/20 0.52
PTGER4 P35408 1/20 0.52
PTGER3 P43115 1/20 0.52
PTGER2 P43116 1/20 0.52
HPGD P15428 2/20 0.47
ACLY P53396 1/20 0.46
HSD17B10 Q99714 2/20 0.46
HDAC8 Q9BY41 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HDAC1 Q13547 1/20 0.42

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
SCHEMBL3558151 0.92 SLC16A3 (0.61) SLC16A3PTGER4PTGER2HPGDACLY
SCHEMBL3564190 0.89 SLC16A3 (0.57) SLC16A3PTGER1PTGER4PTGER3PTGER2
SCHEMBL3553371 0.88 SLC16A3 (0.60) SLC16A3HPGDACLY
SCHEMBL3561531 0.85 SLC16A3 (0.58) SLC16A3PTGER1PTGER4PTGER3PTGER2
Benzene SCHEMBL3554392 0.85 SLC16A3 (0.58) SLC16A3PTGER1PTGER4PTGER3PTGER2
SCHEMBL3559097 0.84 SLC16A3 (0.53) SLC16A3PTGER1PTGER4PTGER3PTGER2
SCHEMBL3557081 0.84 SLC16A3 (0.66) SLC16A3PTGER1PTGER4PTGER3PTGER2
SCHEMBL3560253 0.81 SLC16A3 (0.55) SLC16A3PTGER1PTGER4PTGER3PTGER2
SCHEMBL3558665 0.81 SLC16A3 (0.54) SLC16A3HPGDACLYHSD17B10KDM4E
SCHEMBL3561693 0.80 SLC16A3 (0.67) SLC16A3HPGDACLY

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 425/4885PTGER1 39/4885PTGER4 174/4885

“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.