SCHEMBL643204

SCHEMBL643204

O=C(O)C1CC(C(Cc2ccccc2)N2CCOCC2)CCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 6/20 0.40
KDM1A O60341 1/20 0.39
DPP4 P27487 2/20 0.39
MMP8 P22894 1/20 0.39
ACE P12821 2/20 0.38
LTA4H P09960 5/20 0.38
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL2538651 0.81 MMP8 (0.46) KDM1AMMP8HSD17B10
SCHEMBL493491 0.72 SLC6A4 (0.44) KDM1ADPP4MMP8
SCHEMBL9516925 0.67 LMNA (0.68) KDM1AMMP8HSD17B10
SCHEMBL7280926 0.67 LMNA (0.68) KDM1AMMP8HSD17B10
SCHEMBL26132257 0.66 AGTR2 (0.58) AGTR2DPP8DPP7
SCHEMBL17352193 0.66 TACR1 (0.53) AGTR2DPP4
SCHEMBL30842270 0.66 HSD17B10 (0.51) KDM1AMMP8HSD17B10
SCHEMBL6232052 0.66 DPP4 (0.56) DPP4ACELTA4HDPP8DPP9
SCHEMBL6232055 0.66 DPP4 (0.56) DPP4ACELTA4HDPP8DPP9
SCHEMBL30069469 0.65 HSD17B10 (0.50) MMP8HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119633-B2 N-{2-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-2-oxo-ethoxy]-ethyl}-N-ethyl-4-methoxy-2,3,6-trimethyl-phenylsulfonamide; condensing the N-carboxyalkyl phenylsulfonamide with the substituted piperidine; bradykinin receptor antagonists; analgesics; antidiabetics; angiogenesis inhibitors; rheumatic diseases GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 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-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A AGTR2 696/4885KDM1A 2343/4885DPP4 1309/4885

“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.