SCHEMBL3553349

SCHEMBL3553349

Cc1cccc(S(=O)(=O)Nc2ccc(CCc3ccc(C(=O)O)cc3)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
MAPT P10636 2/20 0.68
HPGD P15428 1/20 0.68
KMT2A Q03164 7/20 0.55
MEN1 O00255 6/20 0.55
AKR1C3 P42330 2/20 0.55
HDAC1 Q13547 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
GAA P10253 1/20 0.52
GFER P55789 1/20 0.52
POLB P06746 1/20 0.52
CYP2C9 P11712 1/20 0.51
ATIC P31939 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HDAC4 P56524 1/20 0.50

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
SCHEMBL3555575 0.92 MEN1 (0.57) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL3561276 0.92 AKR1C3 (0.63) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL3563796 0.85 HDAC1 (0.66) ALDH1A1MAPTKMT2AMEN1HDAC1
SCHEMBL3554760 0.85 HDAC4 (0.61) MAPTKMT2AMEN1HDAC1HDAC8
SCHEMBL3557761 0.85 SLC16A3 (0.71) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL3554799 0.85 ALDH1A1 (0.55) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL3556205 0.84 MAPT (0.64) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL3557524 0.84 HDAC3 (0.64) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL3556553 0.84 ALDH1A1 (0.73) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL3561858 0.83 MEN1 (0.65) ALDH1A1MAPTHPGDKMT2AMEN1

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 ALDH1A1 61/4885MAPT 4130/4885HPGD 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.