SCHEMBL3561601

SCHEMBL3561601

CCCC(Nc1ccccc1CCc1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(C(C)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 6/20 0.49
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
CTSB P07858 1/20 0.35
CTSH P09668 1/20 0.35

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
SCHEMBL3560872 0.94 SLC16A3 (0.50) SLC16A3HDAC3HDAC1NCOR2TSHR
SCHEMBL3553932 0.92 SLC16A3 (0.46) SLC16A3MEN1MAPTKMT2A
SCHEMBL3560804 0.91 SLC16A3 (0.46) SLC16A3MEN1GAAMAPTKMT2A
SCHEMBL3557115 0.88 SLC16A3 (0.48) SLC16A3HDAC3HDAC1NCOR2TSHR
SCHEMBL3557951 0.86 SLC16A3 (0.48) SLC16A3MEN1MAPTKMT2A
SCHEMBL3555276 0.86 SLC16A3 (0.47) SLC16A3MEN1MAPTKMT2A
SCHEMBL3556564 0.84 SLC16A3 (0.47) SLC16A3HDAC3NCOR2TAS2R14MEN1
SCHEMBL3557890 0.84 SLC16A3 (0.46) SLC16A3
SCHEMBL3552964 0.84 SLC16A3 (0.46) SLC16A3TAS2R14MEN1MAPTKMT2A
SCHEMBL3556266 0.80 SLC16A3 (0.42) SLC16A3HDAC3HDAC1NCOR2TAS2R14

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 425/4885HDAC3 3383/4885HDAC1 1894/4885

“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.