SCHEMBL3560145

SCHEMBL3560145

CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(OCCOc3ccccc3C(=O)O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 1/20 0.47
AR P10275 3/20 0.47
PKM P14618 2/20 0.47
RECQL P46063 1/20 0.47
CACNA1B Q00975 1/20 0.46
WDR5 P61964 2/20 0.45
LIMK2 P53671 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PTPN5 P54829 1/20 0.43

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
SCHEMBL3552950 0.91 PTPN5 (0.54) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3562134 0.88 SMN1; SMN2 (0.63) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3555229 0.87 AR (0.63) MEN1KMT2AMAPTALDH1A1AR
SCHEMBL3556145 0.87 MEN1 (0.49) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL3558986 0.86 ALDH1A1 (0.63) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3565129 0.86 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3559157 0.86 GFER (0.56) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3561723 0.86 PGR (0.57) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3559276 0.86 AR (0.61) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3563348 0.84 ALDH1A1 (0.58) MEN1KMT2AMAPTALDH1A1LMNA

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 6 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
EP-1761486-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2007-03-14 EP disclosed
WO-2006000288-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2006-01-05 WO 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 4045/4885MAPT 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.