SCHEMBL3556110

SCHEMBL3556110

COc1ccc(S(=O)(=O)Nc2ccc(OCCOc3ccccc3C(=O)O)cc2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.60
CA9 Q16790 1/20 0.60
NPSR1 Q6W5P4 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MGAT2 Q10469 1/20 0.53
LMNA P02545 3/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 6/20 0.53
POLB P06746 1/20 0.53
KDM4E B2RXH2 1/20 0.52
RCE1 Q9Y256 1/20 0.52
PKM P14618 1/20 0.52
WDR5 P61964 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51

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
SCHEMBL3561723 0.89 PGR (0.57) MEN1KMT2AMGAT2LMNASMN1; SMN2
SCHEMBL3555533 0.88 PGR (0.61) MEN1KMT2AMGAT2LMNASMN1; SMN2
SCHEMBL3558701 0.86 ALDH1A1 (0.58) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL3555904 0.86 WDR5 (0.64) CA12CA9NPSR1MEN1KMT2A
SCHEMBL3552385 0.86 CA12 (0.58) CA12CA9NPSR1MEN1KMT2A
SCHEMBL3558986 0.86 ALDH1A1 (0.63) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL3553617 0.86 MEN1 (0.65) NPSR1MEN1KMT2ALMNAHTT
SCHEMBL3562134 0.85 SMN1; SMN2 (0.63) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL3559276 0.85 AR (0.61) CA12CA9MEN1KMT2ALMNA
SCHEMBL3562602 0.84 ALDH1A1 (0.53) MEN1KMT2AALDH1A1POLBPKM

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 CA12 2189/4885CA9 1020/4885NPSR1 2156/4885

“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.