SCHEMBL3551918

SCHEMBL3551918

O=C(O)c1ccccc1CCCc1ccccc1NS(=O)(=O)c1ccccc1OC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
SLC40A1 Q9NP59 1/20 0.49
SLC16A3 O15427 9/20 0.46
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
ALPL P05186 1/20 0.43
IDH1 O75874 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
BCL2L1 Q07817 1/20 0.42
MCL1 Q07820 1/20 0.42
BRD4 O60885 1/20 0.42
MRGPRX1 Q96LB2 1/20 0.41
RAD52 P43351 1/20 0.41

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
SCHEMBL3557128 0.97 MEN1 (0.49) MEN1ALDH1A1KMT2ASLC40A1SLC16A3
SCHEMBL3554971 0.97 MEN1 (0.51) MEN1ALDH1A1KMT2ASLC40A1SLC16A3
SCHEMBL3559725 0.86 SLC16A3 (0.58) MEN1KMT2ASLC40A1SLC16A3ALPL
SCHEMBL3555732 0.86 SLC16A3 (0.62) SLC40A1SLC16A3ALPLIDH1SLC22A12
SCHEMBL3558458 0.84 SLC16A3 (0.48) MEN1ALDH1A1KMT2ASLC16A3MCL1
SCHEMBL3560873 0.83 MEN1 (0.73) MEN1ALDH1A1KMT2ASLC40A1SLC16A3
SCHEMBL3560779 0.83 SLC16A3 (0.64) MEN1KMT2ASLC40A1SLC16A3ALPL
SCHEMBL3566835 0.83 FABP4 (0.48) MEN1ALDH1A1KMT2ASLC40A1SLC16A3
SCHEMBL3563150 0.83 SLC16A3 (0.68) SLC40A1SLC16A3ALPLSLC22A12MRGPRX1
SCHEMBL3566056 0.82 TSHR (0.55) MEN1ALDH1A1KMT2ASLC16A3

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 MEN1 2548/4885ALDH1A1 61/4885KMT2A 4045/4885

“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.