SCHEMBL3554542

SCHEMBL3554542

O=C(O)c1ccc(OCCOc2ccccc2NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 3/20 0.48
CACNA1B Q00975 3/20 0.48
SLC16A3 O15427 2/20 0.48
PKM P14618 1/20 0.47
EPHX2 P34913 1/20 0.47
HDAC3 O15379 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
PTPN1 P18031 1/20 0.45
CCR9 P51686 1/20 0.45
POLB P06746 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
SCHEMBL3554984 0.91 PKM (0.56) CACNA1HCACNA1BSLC16A3PKMHDAC3
SCHEMBL3559755 0.90 CACNA1H (0.61) CACNA1HCACNA1BSLC16A3PKMHDAC3
SCHEMBL3561665 0.89 CACNA1H (0.58) CACNA1HCACNA1BSLC16A3PKMHDAC3
SCHEMBL3554494 0.89 PKM (0.56) CACNA1HCACNA1BSLC16A3PKMHDAC3
SCHEMBL3558810 0.88 MRGPRX1 (0.51) CACNA1HCACNA1BPKMEPHX2LMNA
SCHEMBL3048026 0.87 CCR1 (0.51) CACNA1HCACNA1BSLC16A3EPHX2TDP1
SCHEMBL3563406 0.87 CACNA1H (0.52) CACNA1HCACNA1BSLC16A3PKMHDAC3
SCHEMBL3558807 0.86 TDP1 (0.56) CACNA1HCACNA1BSLC16A3PKMHDAC3
SCHEMBL3558860 0.86 WDR5 (0.57) CACNA1HCACNA1BSLC16A3PKMTDP1
SCHEMBL3562888 0.86 SLC16A3 (0.64) CACNA1HCACNA1BSLC16A3PKMHDAC3

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 CACNA1H 2058/4885CACNA1B 1921/4885SLC16A3 425/4885

“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.