SCHEMBL3557726

SCHEMBL3557726

Cc1cc(C)c(S(=O)(=O)Nc2ccc(CCc3ccccc3C(=O)O)cc2)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
POLB P06746 1/20 0.52
TSHR P16473 1/20 0.52
GFER P55789 1/20 0.52
MAPT P10636 2/20 0.52
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
NR3C1 P04150 1/20 0.48
ALDH1A1 P00352 5/20 0.47
METAP2 P50579 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NR1I2 O75469 1/20 0.44
MEN1 O00255 1/20 0.44
CRHBP P24387 1/20 0.44
KMT2A Q03164 1/20 0.44
CRHR2 Q13324 1/20 0.44
ALOX12 P18054 1/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL3556251 0.89 TSHR (0.48) GAAPOLBTSHRGFERMAPT
SCHEMBL3554589 0.87 ALDH1A1 (0.47) GAAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3555496 0.87 ALDH1A1 (0.61) GAAPOLBGFERMAPTALDH1A1
SCHEMBL3557458 0.85 ALDH1A1 (0.56) TSHRL3MBTL1NR3C1ALDH1A1METAP2
SCHEMBL3555122 0.84 ALDH1A1 (0.64) GAAGFERMAPTALDH1A1HPGD
SCHEMBL3554799 0.83 ALDH1A1 (0.55) MAPTALDH1A1METAP2HPGDMEN1
SCHEMBL3557383 0.83 MAPT (0.67) GAAPOLBTSHRGFERMAPT
SCHEMBL3558572 0.83 MAPT (0.56) GAAPOLBTSHRGFERMAPT
SCHEMBL3556577 0.82 HDAC1 (0.60) POLBALDH1A1METAP2KDM4EMEN1
SCHEMBL3551731 0.81 PKM (0.53) GAAALDH1A1KDM4EMEN1KMT2A

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 GAA 1191/4885POLB 3962/4885TSHR 3483/4885

“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.