Benzene

Benzene

SCHEMBL3558153

CS(=O)(=O)Nc1ccccc1CCc1ccc(C(=O)O)cc1.c1ccccc1

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 8/20 0.63
NR3C1 P04150 3/20 0.55
KMT2A Q03164 2/20 0.50
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
POLB P06746 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ADRB3 P13945 1/20 0.43

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
SCHEMBL3558898 1.00 SLC16A3 (0.63) SLC16A3NR3C1KMT2AHDAC3HDAC1
SCHEMBL3560319 0.96 SLC16A3 (0.60) SLC16A3NR3C1KMT2AHDAC3HDAC1
SCHEMBL3556496 0.93 SLC16A3 (0.59) SLC16A3NR3C1KMT2AHDAC3HDAC1
SCHEMBL3561531 0.92 SLC16A3 (0.58) SLC16A3NR3C1KMT2APOLBKDM4E
Benzene SCHEMBL3554392 0.92 SLC16A3 (0.58) SLC16A3NR3C1KMT2APOLBKDM4E
SCHEMBL3552271 0.85 SLC16A3 (0.68) SLC16A3NR3C1KMT2A
Benzene SCHEMBL3561698 0.85 SLC16A3 (0.68) SLC16A3NR3C1KMT2A
SCHEMBL3555506 0.85 SLC16A3 (0.60) SLC16A3NR3C1KMT2AHDAC3HDAC1
SCHEMBL3553847 0.85 SLC16A3 (0.76) SLC16A3HDAC3HDAC1NCOR2ALDH1A1
SCHEMBL3558151 0.84 SLC16A3 (0.61) SLC16A3HDAC1ALDH1A1HPGDHSD17B10

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 951/4885KMT2A 4045/4885

“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.