SCHEMBL3554403

SCHEMBL3554403

CCCCc1ccc(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
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
FFAR1 O14842 3/20 0.52
FFAR4 Q5NUL3 1/20 0.52
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
SQSTM1 Q13501 1/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC8 Q9BY41 1/20 0.47
LIMK2 P53671 2/20 0.47
WDR5 P61964 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
SCHEMBL3551606 0.95 SMN1; SMN2 (0.58) TDP1POLBLMNASMN1; SMN2ALDH1A1
SCHEMBL3556702 0.94 TDP1 (0.62) TDP1POLBLMNASMN1; SMN2ALDH1A1
SCHEMBL3561368 0.92 SMN1; SMN2 (0.54) TDP1POLBLMNASMN1; SMN2FFAR1
SCHEMBL3554604 0.92 TDP1 (0.60) TDP1POLBLMNASMN1; SMN2ALDH1A1
SCHEMBL3554982 0.88 TDP1 (0.59) TDP1POLBLMNASMN1; SMN2ALDH1A1
SCHEMBL3557130 0.88 ALDH1A1 (0.58) TDP1POLBLMNASMN1; SMN2FFAR1
SCHEMBL3558946 0.88 KEAP1 (0.58) TDP1POLBLMNASMN1; SMN2ALDH1A1
SCHEMBL3561160 0.86 TDP1 (0.58) TDP1POLBLMNASMN1; SMN2FFAR1
SCHEMBL3553334 0.86 TDP1 (0.58) TDP1POLBLMNASMN1; SMN2ALDH1A1
SCHEMBL3553340 0.86 SMN1; SMN2 (0.56) TDP1POLBLMNASMN1; SMN2FFAR1

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 3962/4885LMNA 2120/4885

“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.