SCHEMBL3559535

SCHEMBL3559535

CC(C)c1ccc(S(=O)(=O)Nc2ccc(OCCOc3ccc(C(=O)O)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.59
TDP1 Q9NUW8 1/20 0.55
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
WDR5 P61964 1/20 0.54
FABP4 P15090 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
POLB P06746 1/20 0.52
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
LIMK2 P53671 1/20 0.51
HDAC1 Q13547 1/20 0.49
PKM P14618 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL3555882 0.86 GFER (0.79) GFERTDP1LMNASMN1; SMN2WDR5
SCHEMBL3562032 0.86 SMN1; SMN2 (0.71) GFERTDP1LMNASMN1; SMN2WDR5
SCHEMBL3559760 0.86 HDAC1 (0.64) GFERTDP1LMNASMN1; SMN2WDR5
SCHEMBL3563809 0.85 MEN1 (0.62) GFERTDP1LMNASMN1; SMN2WDR5
SCHEMBL3560945 0.85 ALDH1A1 (0.53) TDP1LMNASMN1; SMN2POLBMEN1
SCHEMBL3563754 0.85 CACNA1H (0.51) TDP1RXRARXRBLMNAWDR5
SCHEMBL3564489 0.84 GFER (0.60) GFERTDP1RXRARXRBLMNA
SCHEMBL3553373 0.84 AR (0.62) GFERTDP1LMNASMN1; SMN2WDR5
SCHEMBL3558881 0.84 CA12 (0.57) GFERLMNASMN1; SMN2FABP4CA12
SCHEMBL3564080 0.83 ALDH1A1 (0.63) GFERTDP1RXRARXRBLMNA

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 GFER 343/4885TDP1 2267/4885RXRA 1293/4885

“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.