SCHEMBL3556496

SCHEMBL3556496

CS(=O)(=O)Nc1ccccc1CCc1ccc(C(=O)O)cc1.c1cc2cc-2c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 8/20 0.59
NR3C1 P04150 3/20 0.52
KMT2A Q03164 2/20 0.44
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
BCL2 P10415 1/20 0.42
PLA2G7 Q13093 1/20 0.41
MCL1 Q07820 1/20 0.41

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
Benzene SCHEMBL3558153 0.93 SLC16A3 (0.63) SLC16A3NR3C1KMT2AHDAC3HDAC1
SCHEMBL3558898 0.93 SLC16A3 (0.63) SLC16A3NR3C1KMT2AHDAC3HDAC1
SCHEMBL3560319 0.91 SLC16A3 (0.60) SLC16A3NR3C1KMT2AHDAC3HDAC1
SCHEMBL3560664 0.89 SLC16A3 (0.63) SLC16A3NR3C1KMT2A
SCHEMBL3561531 0.85 SLC16A3 (0.58) SLC16A3NR3C1KMT2A
Benzene SCHEMBL3554392 0.85 SLC16A3 (0.58) SLC16A3NR3C1KMT2A
SCHEMBL3563991 0.84 MCL1 (0.49) SLC16A3NR3C1KMT2APLA2G7MCL1
SCHEMBL3552271 0.84 SLC16A3 (0.68) SLC16A3NR3C1KMT2A
Benzene SCHEMBL3561698 0.84 SLC16A3 (0.68) SLC16A3NR3C1KMT2A
SCHEMBL3557394 0.83 SLC16A3 (0.64) SLC16A3NR3C1KMT2APLA2G7MCL1

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.