SCHEMBL3556046

SCHEMBL3556046

O=C(O)CCc1ccccc1OCCOc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.54
POLB P06746 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.49
PLAU P00749 2/20 0.47
ATM Q13315 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
ALOX12 P18054 1/20 0.46
SQSTM1 Q13501 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
FABP1 P07148 1/20 0.46
HDAC1 Q13547 2/20 0.46

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
SCHEMBL3561344 0.90 PGR (0.56) PGRALDH1A1LMNASMN1; SMN2GAA
SCHEMBL3554982 0.90 TDP1 (0.59) PGRPOLBTDP1ALDH1A1LMNA
SCHEMBL3553334 0.88 TDP1 (0.58) POLBTDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL3561160 0.88 TDP1 (0.58) POLBTDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL3560273 0.87 CA12 (0.56) POLBTDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL3551606 0.87 SMN1; SMN2 (0.58) POLBTDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL3557130 0.87 ALDH1A1 (0.58) POLBTDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL3562142 0.87 TDP1 (0.57) PGRPOLBTDP1LMNASMN1; SMN2
SCHEMBL3558946 0.87 KEAP1 (0.58) PGRPOLBTDP1ALDH1A1LMNA
SCHEMBL4778235 0.86 TDP1 (0.49) PGRPOLBTDP1ALDH1A1LMNA

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 PGR 1338/4885POLB 3962/4885TDP1 2267/4885

“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.