SCHEMBL3561818

SCHEMBL3561818

CS(=O)(=O)Nc1ccccc1OCCOc1ccc(C(=O)O)cc1.c1cc2ccc1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
RARB P10826 5/20 0.50
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.45
CASP6 P55212 1/20 0.45
SRD5A2 P31213 1/20 0.44
NR3C1 P04150 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL3563109 0.96 PKM (0.57) PKMLMNASMN1; SMN2L3MBTL1MAPT
Benzene SCHEMBL3553547 0.96 PKM (0.57) PKMLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL3563406 0.86 CACNA1H (0.52) PKMRARBMAPTMAPK1TDP1
SCHEMBL3561678 0.85 PKM (0.56) PKMRARBLMNASMN1; SMN2L3MBTL1
SCHEMBL3554835 0.84 ALDH1A1 (0.55) LMNASMN1; SMN2HSD17B10TSHRCASP6
SCHEMBL3554494 0.83 PKM (0.56) PKMLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL3554984 0.83 PKM (0.56) PKMLMNATDP1POLBNPC1
SCHEMBL3553546 0.82 PKM (0.55) PKMLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL3553635 0.81 PKM (0.51) PKMLMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL3560257 0.81 MRGPRX1 (0.59) PKMRARBTSHRTP53

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 PKM 990/4885RARB 1279/4885LMNA 2120/4885

“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.