SCHEMBL3553027

SCHEMBL3553027

O=C(O)c1ccccc1CCc1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)c2ccccc2)s1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
POLB P06746 3/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
SLC16A3 O15427 8/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CCR2 P41597 1/20 0.41
RAB9A P51151 1/20 0.40
METAP2 P50579 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL3555657 0.95 MEN1 (0.44) MEN1KMT2APOLBLMNAMAPT
SCHEMBL3561797 0.85 HDAC1 (0.45) MEN1KMT2APOLBLMNAMAPT
SCHEMBL3564863 0.85 SLC16A3 (0.61) MEN1KMT2APOLBLMNAMAPT
SCHEMBL3556126 0.85 MEN1 (0.47) MEN1KMT2APOLBLMNAMAPT
SCHEMBL3559525 0.85 SLC16A3 (0.65) MEN1KMT2APOLBLMNAMAPT
SCHEMBL3556581 0.84 SLC16A3 (0.58) MEN1KMT2APOLBSLC16A3KDM4E
SCHEMBL3552308 0.83 HTR6 (0.46) SLC16A3ALDH1A1
SCHEMBL3552834 0.81 MEN1 (0.45) MEN1KMT2APOLBLMNAMAPT
SCHEMBL3555166 0.81 SLC16A3 (0.53) MEN1KMT2APOLBLMNAMAPT
SCHEMBL3557616 0.81 SLC16A3 (0.57) MEN1KMT2APOLBLMNAMAPT

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 8 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-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
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
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 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 2548/4885KMT2A 4045/4885POLB 3962/4885

“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.