SCHEMBL3555533

SCHEMBL3555533

COc1cccc(S(=O)(=O)Nc2ccc(OCCOc3ccccc3C(=O)O)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.61
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 4/20 0.55
MAPT P10636 2/20 0.53
POLB P06746 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
LMNA P02545 2/20 0.51
PKM P14618 2/20 0.51
HPGD P15428 2/20 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) PGRMEN1KMT2AALDH1A1MAPT
SCHEMBL3562602 0.89 ALDH1A1 (0.53) PGRMEN1KMT2AALDH1A1MAPT
SCHEMBL3558986 0.88 ALDH1A1 (0.63) PGRMEN1KMT2AALDH1A1MAPT
SCHEMBL3556110 0.88 CA12 (0.60) MEN1KMT2AALDH1A1POLBHDAC3
SCHEMBL3566000 0.87 PGR (0.60) PGRMEN1KMT2AALDH1A1MAPT
SCHEMBL3561961 0.86 PGR (0.65) PGRMEN1KMT2AALDH1A1MAPT
SCHEMBL3553950 0.86 PGR (0.59) PGRMEN1KMT2AALDH1A1MAPT
SCHEMBL3553617 0.86 MEN1 (0.65) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL3561094 0.84 PGR (0.57) PGRALDH1A1MAPTPOLBHDAC3
SCHEMBL3558701 0.84 ALDH1A1 (0.58) PGRMEN1KMT2AALDH1A1HDAC3

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 PGR 1338/4885MEN1 2548/4885KMT2A 4045/4885

“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.