SCHEMBL3559188

SCHEMBL3559188

O=C(O)c1ccc(OCCOc2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.58
CCR1 P32246 2/20 0.58
CACNA1H O95180 2/20 0.51
CACNA1B Q00975 2/20 0.51
PKM P14618 1/20 0.50
CCR5 P51681 1/20 0.50
SLC16A3 O15427 1/20 0.50
AR P10275 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL3554984 0.94 PKM (0.56) CCR2CCR1CACNA1HCACNA1BPKM
SCHEMBL3554494 0.92 PKM (0.56) CCR2CCR1CACNA1HCACNA1BPKM
SCHEMBL3561665 0.90 CACNA1H (0.58) CACNA1HCACNA1BPKMSLC16A3AR
SCHEMBL3563406 0.90 CACNA1H (0.52) CCR2CCR1CACNA1HCACNA1BPKM
SCHEMBL3552318 0.89 GFER (0.56) CACNA1HCACNA1BPKMSLC16A3AR
SCHEMBL3558860 0.89 WDR5 (0.57) CACNA1HCACNA1BPKMSLC16A3TDP1
SCHEMBL3565335 0.89 CACNA1H (0.53) CACNA1HCACNA1BPKMSLC16A3TDP1
SCHEMBL3562888 0.89 SLC16A3 (0.64) CACNA1HCACNA1BPKMSLC16A3TDP1
SCHEMBL3563754 0.88 CACNA1H (0.51) CCR2CCR1CACNA1HCACNA1BPKM
SCHEMBL3558807 0.87 TDP1 (0.56) CACNA1HCACNA1BPKMSLC16A3TDP1

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 CCR2 1793/4885CCR1 660/4885CACNA1H 2058/4885

“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.