SCHEMBL3561276

SCHEMBL3561276

Cc1cccc(S(=O)(=O)Nc2ccc(CCc3cccc(C(=O)O)c3)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.63
ALDH1A1 P00352 4/20 0.60
MAPT P10636 1/20 0.60
HPGD P15428 1/20 0.60
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
SLC16A3 O15427 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GFER P55789 1/20 0.50
PFKFB3 Q16875 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
SCHEMBL3561858 0.92 MEN1 (0.65) AKR1C3ALDH1A1MAPTHPGDMEN1
SCHEMBL3553349 0.92 ALDH1A1 (0.68) AKR1C3ALDH1A1MAPTHPGDMEN1
SCHEMBL3554962 0.89 ALDH1A1 (0.64) AKR1C3ALDH1A1MAPTHPGDMEN1
SCHEMBL3552742 0.89 MEN1 (0.63) AKR1C3MEN1KMT2AHDAC1HDAC8
SCHEMBL3555575 0.88 MEN1 (0.57) AKR1C3ALDH1A1MAPTHPGDMEN1
SCHEMBL3556207 0.86 MEN1 (0.57) AKR1C3MAPTMEN1KMT2AHDAC1
SCHEMBL3556522 0.85 SLC16A3 (0.58) ALDH1A1MAPTMEN1KMT2AHDAC1
SCHEMBL3559667 0.85 AKR1C3 (0.65) AKR1C3ALDH1A1HPGDMEN1KMT2A
SCHEMBL3555180 0.85 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2AHDAC1
SCHEMBL3555334 0.85 KAT6A (0.56) ALDH1A1MAPTMEN1KMT2ASLC16A3

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 AKR1C3 23/4885ALDH1A1 61/4885MAPT 4130/4885

“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.