SCHEMBL3564900

SCHEMBL3564900

O=C(O)c1ccc(OCCOc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
LMNA P02545 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
GAA P10253 2/20 0.64
PGR P06401 1/20 0.63
AKR1C3 P42330 1/20 0.62
PLAU P00749 2/20 0.61
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58

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
SCHEMBL7782154 0.90 ALDH1A1 (0.77) ALDH1A1LMNASMN1; SMN2GAAPGR
SCHEMBL3563809 0.87 MEN1 (0.62) LMNASMN1; SMN2PGRMEN1KMT2A
SCHEMBL3556152 0.86 SLC16A3 (0.61) AKR1C3MEN1KMT2ASLC16A3WDR5
SCHEMBL3558701 0.86 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2GAAPGR
SCHEMBL3563084 0.85 SLC16A3 (0.75) ALDH1A1LMNASMN1; SMN2GAAPGR
SCHEMBL3561344 0.82 PGR (0.56) ALDH1A1LMNASMN1; SMN2GAAPGR
SCHEMBL3556205 0.82 MAPT (0.64) ALDH1A1MEN1KMT2AHDAC1HDAC8
SCHEMBL3556446 0.82 PGR (0.62) ALDH1A1LMNASMN1; SMN2PGRAKR1C3
SCHEMBL3555882 0.81 GFER (0.79) ALDH1A1LMNASMN1; SMN2GAAMEN1
SCHEMBL3562032 0.81 SMN1; SMN2 (0.71) LMNASMN1; SMN2MEN1KMT2AHDAC1

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 61/4885LMNA 2120/4885SMN1; SMN2 4522/4885

“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.