SCHEMBL3557447

SCHEMBL3557447

O=C(O)c1ccc(CCc2ccc(NS(=O)(=O)c3ccccc3F)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 2/20 0.61
TSHR P16473 1/20 0.56
ALDH1A1 P00352 3/20 0.52
SLC16A3 O15427 1/20 0.52
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
GAA P10253 2/20 0.48
FABP4 P15090 1/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
GFER P55789 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTR6 P50406 1/20 0.48
MAPK1 P28482 1/20 0.47
KAT6A Q92794 1/20 0.47
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL5330069 0.92 PTK2B (0.71) PTK2BTSHRALDH1A1POLBHTT
SCHEMBL3563292 0.89 PTK2B (0.58) PTK2BTSHRALDH1A1SLC16A3FABP4
SCHEMBL3560143 0.89 PTK2B (0.58) PTK2BTSHRALDH1A1SLC16A3KMT2A
SCHEMBL3563068 0.85 PKM (0.56) PTK2BTSHRALDH1A1SLC16A3POLB
SCHEMBL3559119 0.85 PTK2B (0.50) PTK2BTSHRALDH1A1SLC16A3POLB
SCHEMBL3553224 0.85 SLC16A3 (0.72) PTK2BTSHRSLC16A3KAT6ASMN1; SMN2
SCHEMBL3561847 0.85 PTK2B (0.52) PTK2BTSHRALDH1A1POLBHTT
SCHEMBL3555598 0.84 PKLR (0.58) PTK2BTSHRALDH1A1SLC16A3KMT2A
SCHEMBL3555144 0.84 PTK2B (0.57) PTK2BTSHRALDH1A1HTTGAA
SCHEMBL3559856 0.82 TSHR (0.85) TSHRALDH1A1SLC16A3HTTGAA

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 3187/4885TSHR 3483/4885ALDH1A1 61/4885

“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.