SCHEMBL3558810

SCHEMBL3558810

O=C(O)c1ccc(OCCOc2ccccc2NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 1/20 0.51
SLC40A1 Q9NP59 1/20 0.50
PKM P14618 1/20 0.47
RAD52 P43351 1/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
ALPL P05186 3/20 0.43
FFAR4 Q5NUL3 1/20 0.43
EPHX2 P34913 1/20 0.42
AURKA O14965 1/20 0.42
AXL P30530 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PTK2B Q14289 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC22A12 Q96S37 2/20 0.41
BRD4 O60885 1/20 0.41
LMNA P02545 2/20 0.40

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
SCHEMBL3558029 0.89 ALPL (0.50) MRGPRX1SLC40A1PKMRXRARXRB
SCHEMBL3554542 0.88 CACNA1H (0.48) PKMRXRARXRBRXRGEPHX2
SCHEMBL3563709 0.88 MEN1 (0.57) SLC40A1PKMRAD52RXRARXRB
SCHEMBL3565992 0.86 PKM (0.50) PKMRAD52SMN1; SMN2PTK2BMEN1
SCHEMBL3556624 0.85 ALDH1A1 (0.51) PKMRAD52SMN1; SMN2PTK2BMEN1
SCHEMBL3554494 0.82 PKM (0.56) PKMSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3554984 0.82 PKM (0.56) PKMLMNACACNA1HCACNA1B
SCHEMBL3563478 0.82 SLC16A3 (0.60) PKMRAD52MEN1ALDH1A1KMT2A
SCHEMBL3560299 0.82 RAD52 (0.61) PKMRAD52MEN1KMT2ALMNA
SCHEMBL3552423 0.81 PIK3CA (0.50) PKMRAD52SMN1; SMN2PTK2BCACNA1H

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 MRGPRX1 2191/4885SLC40A1 1414/4885PKM 990/4885

“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.