SCHEMBL3557166

SCHEMBL3557166

CCc1ccc(S(=O)(=O)Nc2ccc(CCc3ccccc3C(=O)O)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
UCHL1 P09936 1/20 0.56
METAP2 P50579 2/20 0.53
LIMK2 P53671 1/20 0.53
HDAC8 Q9BY41 3/20 0.51
HDAC1 Q13547 3/20 0.51
HDAC4 P56524 1/20 0.51
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTR6 P50406 1/20 0.50
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN5 P54829 1/20 0.48
GHSR Q92847 1/20 0.48
MEN1 O00255 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL3555671 0.93 METAP2 (0.57) ALDH1A1METAP2HDAC8HDAC1HDAC4
SCHEMBL3556577 0.91 HDAC1 (0.60) ALDH1A1METAP2HDAC8HDAC1HDAC4
SCHEMBL3558903 0.91 FFAR1 (0.59) ALDH1A1METAP2LIMK2HDAC8HDAC1
SCHEMBL3555122 0.91 ALDH1A1 (0.64) ALDH1A1LIMK2HDAC8HDAC1HDAC4
SCHEMBL3554424 0.89 UQCRB (0.56) ALDH1A1UCHL1HDAC8HDAC1HDAC4
SCHEMBL3554803 0.89 SLC16A3 (0.57) ALDH1A1LIMK2HDAC8HDAC1HDAC4
SCHEMBL3562226 0.89 ALDH1A1 (0.58) ALDH1A1METAP2LIMK2KMT2AHTR6
SCHEMBL3555641 0.88 KDM4E (0.61) ALDH1A1KMT2AL3MBTL1GHSRMEN1
SCHEMBL3560714 0.88 CA12 (0.62) ALDH1A1LIMK2HDAC8HDAC1HDAC4
SCHEMBL3553918 0.88 PRMT1 (0.59) ALDH1A1HDAC8HDAC1HDAC4KMT2A

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 61/4885UCHL1 1431/4885METAP2 2438/4885

“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.