SCHEMBL3555296

SCHEMBL3555296

O=C(O)c1ccc(CCc2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.51
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
SLC22A12 Q96S37 4/20 0.48
ALPL P05186 3/20 0.47
PTK2B Q14289 1/20 0.46
FABP4 P15090 2/20 0.46
FABP5 Q01469 1/20 0.46
HSD17B1 P14061 2/20 0.45
HSD17B2 P37059 2/20 0.45
SLC16A3 O15427 2/20 0.45
LMNA P02545 1/20 0.44
KCNA5 P22460 1/20 0.44

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
SCHEMBL3558721 0.93 SLC16A3 (0.51) IDH1SLC22A12ALPLPTK2BFABP4
SCHEMBL3556453 0.91 RXRA (0.53) IDH1RXRARXRBRXRGSLC22A12
SCHEMBL3554994 0.90 SLC16A3 (0.50) IDH1SLC22A12ALPLPTK2BFABP4
SCHEMBL3561309 0.86 FABP4 (0.48) IDH1SLC22A12ALPLFABP4FABP5
SCHEMBL3562430 0.84 IDH1 (0.53) IDH1RXRASLC22A12PTK2BSLC16A3
SCHEMBL3563292 0.83 PTK2B (0.58) IDH1PTK2BFABP4HSD17B1HSD17B2
SCHEMBL3557532 0.82 SERPINE1 (0.51) SLC16A3
SCHEMBL3560779 0.82 SLC16A3 (0.64) RXRARXRBRXRGALPLSLC16A3
SCHEMBL3563150 0.80 SLC16A3 (0.68) SLC22A12ALPLPTK2BSLC16A3
SCHEMBL3558846 0.80 TSHR (0.70) FABP4FABP5SLC16A3

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 IDH1 970/4885RXRA 1293/4885RXRB 1002/4885

“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.