SCHEMBL3554604

SCHEMBL3554604

CCc1ccc(S(=O)(=O)Nc2ccc(OCCOc3ccccc3CCC(=O)O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.60
POLB P06746 1/20 0.60
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KEAP1 Q14145 2/20 0.50
NFE2L2 Q16236 2/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
SQSTM1 Q13501 1/20 0.50
LIMK2 P53671 3/20 0.48
LMNA P02545 2/20 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
UCHL1 P09936 1/20 0.46

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
SCHEMBL3556702 0.93 TDP1 (0.62) TDP1POLBMEN1KMT2AMAPT
SCHEMBL3551606 0.92 SMN1; SMN2 (0.58) TDP1POLBMEN1KMT2AMAPT
SCHEMBL3554403 0.92 TDP1 (0.60) TDP1POLBMEN1KMT2AMAPT
SCHEMBL3554982 0.91 TDP1 (0.59) TDP1POLBMEN1KMT2AMAPT
SCHEMBL3558946 0.90 KEAP1 (0.58) TDP1POLBMEN1KMT2AMAPT
SCHEMBL3557130 0.90 ALDH1A1 (0.58) TDP1POLBMEN1KMT2AMAPT
SCHEMBL3553720 0.90 MEN1 (0.53) TDP1POLBMEN1KMT2AMAPT
SCHEMBL3553334 0.89 TDP1 (0.58) TDP1POLBMEN1KMT2AMAPT
SCHEMBL3561160 0.89 TDP1 (0.58) TDP1POLBMEN1KMT2AMAPT
SCHEMBL3552602 0.88 LMNA (0.62) TDP1POLBMEN1KMT2AMAPT

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 TDP1 2267/4885POLB 3962/4885MEN1 2548/4885

“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.