SCHEMBL3564784

SCHEMBL3564784

O=C(O)c1ccc(OCCOc2ccccc2NS(=O)(=O)c2cccc3cccnc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 3/20 0.64
ALDH1A1 P00352 3/20 0.61
POLB P06746 1/20 0.61
FABP1 P07148 2/20 0.57
MMP2 P08253 1/20 0.56
GAA P10253 1/20 0.55
SLC40A1 Q9NP59 4/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ST14 Q9Y5Y6 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
RAB9A P51151 1/20 0.50
KCNA5 P22460 1/20 0.49

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
SCHEMBL3555597 0.87 FABP1 (0.74) SLC16A3ALDH1A1FABP1GAAMEN1
SCHEMBL3563478 0.86 SLC16A3 (0.60) SLC16A3ALDH1A1MEN1KMT2AKCNA5
SCHEMBL3556624 0.82 ALDH1A1 (0.51) ALDH1A1MMP2MEN1KMT2AMAPT
SCHEMBL3565992 0.81 PKM (0.50) MEN1KMT2AMAPTRAB9A
SCHEMBL3558200 0.81 SLC16A3 (0.48) SLC16A3SLC40A1
SCHEMBL3554494 0.80 PKM (0.56) SLC16A3POLBMEN1KMT2AMAPT
SCHEMBL3554984 0.80 PKM (0.56) SLC16A3POLBGAATDP1
SCHEMBL3556558 0.79 FABP1 (0.68) ALDH1A1POLBFABP1GAAMEN1
SCHEMBL3563709 0.79 MEN1 (0.57) ALDH1A1SLC40A1MEN1KMT2A
SCHEMBL3558810 0.79 MRGPRX1 (0.51) ALDH1A1SLC40A1MEN1KMT2AMAPT

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 425/4885ALDH1A1 61/4885POLB 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.