SCHEMBL3561847

SCHEMBL3561847

O=C(O)c1ccc(CCc2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 1/20 0.52
HTT P42858 1/20 0.50
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
RORC P51449 1/20 0.47
FABP4 P15090 2/20 0.47
FABP5 Q01469 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
ACLY P53396 1/20 0.45
CXCR4 P61073 1/20 0.44
LMNA P02545 1/20 0.44
IKBKB O14920 1/20 0.44
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL15713386 0.92 PTK2B (0.59) PTK2BHTTMAPK1TDP1RORC
SCHEMBL3557793 0.90 SLC16A3 (0.56) PTK2BHTTRORCFABP4FABP5
SCHEMBL3560292 0.90 PTK2B (0.50) PTK2BFABP4FABP5PTGDR2LMNA
SCHEMBL3564236 0.85 SLC16A3 (0.59) HTTALDH1A1LMNA
SCHEMBL3557447 0.85 PTK2B (0.61) PTK2BHTTMAPK1TDP1FABP4
SCHEMBL3557116 0.84 MEN1 (0.49) PTK2BHTTMAPK1TDP1FABP4
SCHEMBL3560891 0.84 SLC16A3 (0.64) PTK2BFABP4ACLY
SCHEMBL3553690 0.84 FABP4 (0.52) PTK2BFABP4FABP5PTGDR2
SCHEMBL3560585 0.82 FFAR1 (0.63) ALDH1A1LMNAPOLB
SCHEMBL3556820 0.81 SLC16A3 (0.57) PTK2BFABP4FABP5ALDH1A1LMNA

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 PTK2B 3187/4885HTT 3739/4885MAPK1 667/4885

“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.