SCHEMBL3563740

SCHEMBL3563740

CC(=O)c1ccc(S(=O)(=O)Nc2ccc(OCCOc3ccccc3CCC(=O)O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
POLB P06746 1/20 0.55
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 2/20 0.51
LIMK2 P53671 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
KEAP1 Q14145 2/20 0.48
NFE2L2 Q16236 2/20 0.48
SQSTM1 Q13501 1/20 0.48
HPGD P15428 2/20 0.47
PKM P14618 1/20 0.47
RECQL P46063 1/20 0.47
CACNA1B Q00975 1/20 0.46
FABP1 P07148 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
SCHEMBL3554982 0.91 TDP1 (0.59) TDP1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL3552602 0.90 LMNA (0.62) TDP1POLBMEN1KMT2AGAA
SCHEMBL3555874 0.90 CA12 (0.56) TDP1POLBCA12CA9MEN1
SCHEMBL3558946 0.90 KEAP1 (0.58) TDP1POLBMEN1KMT2AGAA
SCHEMBL3551606 0.90 SMN1; SMN2 (0.58) TDP1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL3557130 0.90 ALDH1A1 (0.58) TDP1POLBCA12CA9MEN1
SCHEMBL3553334 0.89 TDP1 (0.58) TDP1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL3561160 0.89 TDP1 (0.58) TDP1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL3554604 0.88 TDP1 (0.60) TDP1POLBMEN1KMT2ALIMK2
SCHEMBL3562142 0.88 TDP1 (0.57) TDP1POLBMEN1KMT2ASMN1; SMN2

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 3962/4885CA12 2189/4885

“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.