SCHEMBL3554994

SCHEMBL3554994

O=C(O)c1cccc(CCc2ccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 5/20 0.50
SLC22A12 Q96S37 3/20 0.48
ALPL P05186 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
IDH1 O75874 3/20 0.46
PTK2B Q14289 1/20 0.46
FABP4 P15090 1/20 0.46
FABP5 Q01469 1/20 0.46
GPR55 Q9Y2T6 1/20 0.45
LMNA P02545 1/20 0.44
MRGPRX4 Q96LA9 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) SLC16A3SLC22A12ALPLIDH1PTK2B
SCHEMBL3556453 0.91 RXRA (0.53) SLC16A3SLC22A12ALPLMEN1KMT2A
SCHEMBL3555296 0.90 IDH1 (0.51) SLC16A3SLC22A12ALPLIDH1PTK2B
SCHEMBL3563150 0.86 SLC16A3 (0.68) SLC16A3SLC22A12ALPLPTK2BMRGPRX4
SCHEMBL3566835 0.84 FABP4 (0.48) SLC16A3SLC22A12ALPLMEN1KMT2A
SCHEMBL3555827 0.84 PKLR (0.53) SLC16A3SLC22A12MEN1KMT2AIDH1
SCHEMBL3555732 0.83 SLC16A3 (0.62) SLC16A3SLC22A12ALPLIDH1PTK2B
SCHEMBL3560143 0.83 PTK2B (0.58) SLC16A3MEN1KMT2APTK2BGPR55
SCHEMBL3558899 0.82 MRGPRX4 (0.56) SLC16A3MEN1KMT2AMRGPRX4
SCHEMBL3561309 0.82 FABP4 (0.48) SLC16A3SLC22A12ALPLIDH1FABP4

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 SLC16A3 425/4885SLC22A12 1094/4885ALPL 3541/4885

“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.