SCHEMBL3555628

SCHEMBL3555628

O=C(O)c1ccc(CCc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.65
POLB P06746 1/20 0.56
KEAP1 Q14145 2/20 0.55
NFE2L2 Q16236 2/20 0.55
PFKFB3 Q16875 1/20 0.55
LIMK1 P53667 1/20 0.53
LIMK2 P53671 1/20 0.53
KDM1A O60341 1/20 0.53
MAOA P21397 1/20 0.53
AKR1C3 P42330 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
SLC16A3 O15427 1/20 0.52
PTGES O14684 1/20 0.52

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
SCHEMBL3555871 0.96 POLB (0.60) HTR6POLBLIMK1LIMK2MEN1
SCHEMBL3554836 0.93 POLB (0.64) HTR6POLBKEAP1NFE2L2PFKFB3
SCHEMBL3553555 0.91 HTR6 (0.67) HTR6POLBKEAP1NFE2L2PFKFB3
SCHEMBL3553771 0.90 CA12 (0.61) HTR6POLBLIMK1LIMK2MEN1
SCHEMBL3561244 0.90 ALDH1A1 (0.57) HTR6POLBLIMK1LIMK2MEN1
SCHEMBL3559499 0.90 MAPT (0.60) HTR6POLBLIMK1LIMK2AKR1C3
SCHEMBL3556021 0.90 KDM1A (0.59) HTR6POLBLIMK1LIMK2KDM1A
SCHEMBL3556294 0.90 SLC16A3 (0.61) HTR6POLBLIMK2MEN1KMT2A
SCHEMBL3558114 0.90 POLB (0.67) HTR6POLBPFKFB3AKR1C3MEN1
SCHEMBL3558145 0.89 THRB (0.57) HTR6POLBPFKFB3LIMK2MEN1

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 HTR6 2387/4885POLB 3962/4885KEAP1 1284/4885

“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.