Benzene

Benzene

SCHEMBL3554392

CS(=O)(=O)Nc1ccccc1CCCc1ccc(C(=O)O)cc1.c1ccccc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 8/20 0.58
NR3C1 P04150 2/20 0.53
PTGER1 P34995 1/20 0.51
PTGER4 P35408 1/20 0.51
PTGER3 P43115 1/20 0.51
PTGER2 P43116 1/20 0.51
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.46
RARB P10826 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL3561531 1.00 SLC16A3 (0.58) SLC16A3NR3C1PTGER1PTGER4PTGER3
SCHEMBL3558898 0.92 SLC16A3 (0.63) SLC16A3NR3C1KMT2APOLBKDM4E
Benzene SCHEMBL3558153 0.92 SLC16A3 (0.63) SLC16A3NR3C1KMT2APOLBKDM4E
SCHEMBL3560319 0.88 SLC16A3 (0.60) SLC16A3NR3C1KMT2ARARB
SCHEMBL3564190 0.88 SLC16A3 (0.57) SLC16A3PTGER1PTGER4PTGER3PTGER2
SCHEMBL3560711 0.86 SLC16A3 (0.61) SLC16A3NR3C1KMT2APOLB
SCHEMBL3560253 0.86 SLC16A3 (0.55) SLC16A3NR3C1PTGER1PTGER4PTGER3
Benzene SCHEMBL3553377 0.86 SLC16A3 (0.61) SLC16A3NR3C1KMT2APOLB
SCHEMBL3557081 0.86 SLC16A3 (0.66) SLC16A3PTGER1PTGER4PTGER3PTGER2
SCHEMBL3556496 0.85 SLC16A3 (0.59) SLC16A3NR3C1KMT2A

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 SLC16A3 425/4885NR3C1 951/4885PTGER1 39/4885

“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.