SCHEMBL3554621

SCHEMBL3554621

O=C(O)c1ccccc1CCc1cccc(NS(=O)(=O)c2ccccc2F)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTK2B Q14289 1/20 0.50
SLC16A3 O15427 4/20 0.49
HTR6 P50406 3/20 0.47
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GLA P06280 1/20 0.45
IDH1 O75874 2/20 0.45
FABP4 P15090 2/20 0.45
NR1I2 O75469 1/20 0.44
KAT6A Q92794 1/20 0.44
ADRB2 P07550 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
SCHEMBL3556737 0.90 SLC16A3 (0.53) PTK2BSLC16A3HTR6IDH1FABP4
SCHEMBL3555571 0.90 SLC16A3 (0.48) PTK2BSLC16A3HTR6ALDH1A1IDH1
SCHEMBL3560333 0.87 PTK2B (0.60) PTK2BSLC16A3HTR6ALDH1A1MEN1
SCHEMBL3559119 0.87 PTK2B (0.50) PTK2BSLC16A3HTR6ALDH1A1MEN1
SCHEMBL3560911 0.86 MEN1 (0.57) SLC16A3ALDH1A1MEN1KMT2AIDH1
SCHEMBL3563988 0.86 SLC16A3 (0.67) SLC16A3ALDH1A1FABP4NR1I2
SCHEMBL3554638 0.85 L3MBTL1 (0.56) SLC16A3HTR6SMN1; SMN2NR1I2
SCHEMBL3561338 0.85 HTR6 (0.62) SLC16A3HTR6ALDH1A1ADRB2
SCHEMBL3556257 0.84 SLC16A3 (0.67) SLC16A3HTR6ALDH1A1MEN1KMT2A
SCHEMBL3550800 0.84 SLC16A3 (0.69) SLC16A3ALDH1A1MEN1KMT2AIDH1

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 3187/4885SLC16A3 425/4885HTR6 2387/4885

“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.