Benzene

Benzene

SCHEMBL3553547

CS(=O)(=O)Nc1ccccc1OCCOc1ccc(C(=O)O)cc1.c1ccccc1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.57
LMNA P02545 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MAPT P10636 3/20 0.50
HSD17B10 Q99714 2/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
USP2 O75604 1/20 0.50
ALOX15 P16050 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 1/20 0.48
CASP6 P55212 1/20 0.48
ALDH1A1 P00352 1/20 0.47
NR3C1 P04150 1/20 0.46
TP53 P04637 1/20 0.46
NPC1 O15118 1/20 0.46
PLA2G4B P0C869 1/20 0.45
KMT2A Q03164 1/20 0.45

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 1.00 PKM (0.57) PKMLMNAL3MBTL1MAPTHSD17B10
SCHEMBL3561818 0.96 PKM (0.54) PKMLMNAL3MBTL1MAPTHSD17B10
SCHEMBL3561678 0.89 PKM (0.56) PKMLMNAL3MBTL1MAPTHSD17B10
SCHEMBL3554494 0.86 PKM (0.56) PKMLMNAL3MBTL1MAPTHSD17B10
SCHEMBL3554984 0.86 PKM (0.56) PKMLMNATDP1POLBNPC1
SCHEMBL3553546 0.85 PKM (0.55) PKMLMNAL3MBTL1MAPTHSD17B10
SCHEMBL3553635 0.84 PKM (0.51) PKMLMNAL3MBTL1MAPTHSD17B10
SCHEMBL3560257 0.83 MRGPRX1 (0.59) PKMTSHRTP53PLA2G4B
SCHEMBL3558860 0.83 WDR5 (0.57) PKMLMNATSHRSMN1; SMN2TDP1
SCHEMBL3562888 0.83 SLC16A3 (0.64) PKMLMNAL3MBTL1MAPTTSHR

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 990/4885LMNA 2120/4885L3MBTL1 2080/4885

“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.