SCHEMBL3562052

SCHEMBL3562052

O=C(O)c1ccc(OCCOc2ccccc2NS(=O)(=O)c2cccs2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
HTT P42858 1/20 0.57
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
PKM P14618 1/20 0.49
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
POLB P06746 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
MCL1 Q07820 1/20 0.45
BCL2A1 Q16548 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 1/20 0.45
TNF P01375 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
SCHEMBL3559245 0.85 MEN1 (0.65) ALDH1A1HTTMEN1KMT2APKM
SCHEMBL3554984 0.84 PKM (0.56) HTTPKMGAANPC1POLB
SCHEMBL3554494 0.84 PKM (0.56) MEN1KMT2APKMSMN1; SMN2TSHR
SCHEMBL3555433 0.82 PKM (0.46) ALDH1A1HTTMEN1KMT2APKM
SCHEMBL3558820 0.82 PKM (0.43) ALDH1A1HTTMEN1KMT2APKM
SCHEMBL3563384 0.80 ALDH1A1 (0.55) ALDH1A1HTTMEN1KMT2AGAA
Benzene SCHEMBL3553547 0.80 PKM (0.57) ALDH1A1KMT2APKMSMN1; SMN2NPC1
SCHEMBL3563109 0.80 PKM (0.57) ALDH1A1KMT2APKMSMN1; SMN2NPC1
SCHEMBL5162128 0.80 MEN1 (0.55) ALDH1A1HTTMEN1KMT2APKM
SCHEMBL3556624 0.80 ALDH1A1 (0.51) ALDH1A1MEN1KMT2APKMSMN1; SMN2

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 ALDH1A1 61/4885HTT 3739/4885MEN1 2548/4885

“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.