SCHEMBL6631399

SCHEMBL6631399

CS(=O)(=O)NC(=O)CCCN

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.43
CYP1A2 P05177 2/20 0.41
LMNA P02545 2/20 0.41
GABRR3 A8MPY1 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
HDAC3 O15379 1/20 0.41
GABBR2 O75899 1/20 0.41
THRB P10828 1/20 0.41
GABRA1 P14867 1/20 0.41
TSHR P16473 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRR1 P24046 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRR2 P28476 1/20 0.41
SLC6A1 P30531 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 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
SCHEMBL1161702 0.86 EPHX2 (0.38) EPHX2CA1CA2CA4PTGES
SCHEMBL6887420 0.80 EPHX2 (0.55) EPHX2KMT2ANPSR1CA1CA2
SCHEMBL27876597 0.78 EPHX2 (0.43) EPHX2HDAC3TSHRHDAC1HDAC2
SCHEMBL29390204 0.78 EPHX2 (0.44) EPHX2HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL3354881 0.78 EPHX2 (0.54) EPHX2KMT2ANPSR1CA1CA2
SCHEMBL8784794 0.78 LMNA (0.48) EPHX2LMNATSHRKMT2AHDAC11
SCHEMBL2810388 0.78 EPHX2 (0.62) EPHX2TSHRKMT2ACA1CA2
SCHEMBL18954224 0.77 EPHX2 (0.65) EPHX2TSHRKMT2AHDAC11PTGES
SCHEMBL91016 0.77 TSHR (0.50) EPHX2LMNATSHRKMT2AHDAC11
SCHEMBL1347783 0.77 EPHX2 (0.45) EPHX2HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150989-A1 HERBICIDAL MALONAMIDES BASF SE (DE) 2023-05-18 US disclosed
EP-1317459-B1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2004-04-07 EP disclosed
US-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2003-12-18 US disclosed
EP-1317459-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS AstraZeneca AB (SE) 2003-06-11 EP disclosed
WO-2002020530-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2002-03-14 WO 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 (2 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-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors GYS1, GYS2, PYGL EPHX2 3491/4885CYP1A2 2676/4885LMNA 3115/4885
US-20230150989-A1 HERBICIDAL MALONAMIDES DDT, DHRS9, CA9 EPHX2 271/4885CYP1A2 102/4885LMNA 3455/4885

“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.