SCHEMBL3558660

SCHEMBL3558660

COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2OCCOc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
TDP1 Q9NUW8 1/20 0.57
MAPT P10636 3/20 0.56
ALDH1A1 P00352 2/20 0.56
RAD52 P43351 1/20 0.56
GAA P10253 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.53
POLB P06746 1/20 0.53
PKM P14618 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
CASP1 P29466 1/20 0.53
HTT P42858 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ERAP2 Q6P179 1/20 0.52
ERAP1 Q9NZ08 1/20 0.52
LMNA P02545 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
SCHEMBL3555325 0.86 SMN1; SMN2 (0.69) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3560287 0.86 SLC16A3 (0.64) MEN1KMT2AMAPTALDH1A1RAD52
SCHEMBL3561108 0.86 NPSR1 (0.55) MEN1KMT2AMAPTALDH1A1RAD52
SCHEMBL3562888 0.85 SLC16A3 (0.64) TDP1MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL3556624 0.82 ALDH1A1 (0.51) MEN1KMT2AMAPTALDH1A1RAD52
SCHEMBL3553617 0.82 MEN1 (0.65) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3557803 0.82 ALDH1A1 (0.57) MEN1KMT2ATDP1ALDH1A1RAD52
SCHEMBL3554984 0.81 PKM (0.56) TDP1GAAKDM4EPOLBPKM
SCHEMBL3554494 0.81 PKM (0.56) MEN1KMT2ATDP1MAPTSMN1; SMN2
SCHEMBL3551102 0.81 RAD52 (0.50) MEN1KMT2ATDP1MAPTRAD52

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 MEN1 2548/4885KMT2A 4045/4885TDP1 2267/4885

“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.