SCHEMBL354309

SCHEMBL354309

Nc1nc(C2CCCN2C(=O)O)cs1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
ADAM17 P78536 2/20 0.45
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CPT1A P50416 10/20 0.40
TRPV1 Q8NER1 2/20 0.39
CPT2 P23786 4/20 0.39
CPT1B Q92523 4/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL356138 0.82 SCN4A (0.45) HSD17B10ADAM17ALDH1A1
SCHEMBL8240664 0.82 SCN4A (0.45) HSD17B10ADAM17ALDH1A1
SCHEMBL8215613 0.82 SCN4A (0.45) HSD17B10ADAM17ALDH1A1
SCHEMBL2728854 0.76 TRPV1 (0.46) CPT1ATRPV1CPT2CPT1B
SCHEMBL8222441 0.76 CPT1A (0.49) CPT1ACPT2CPT1B
SCHEMBL21275501 0.74 RAB9A (0.43) HSD17B10KDM4EGAAALOX15RAB9A
SCHEMBL24936708 0.73 HSD17B10 (0.49) HSD17B10ADAM17KDM4EGAAALOX15
SCHEMBL29211516 0.73 HSD17B10 (0.49) HSD17B10ADAM17KDM4EGAAALOX15
SCHEMBL25391801 0.73 HSD17B10 (0.44) HSD17B10ADAM17KDM4EGAAALOX15
SCHEMBL25391805 0.73 HSD17B10 (0.44) HSD17B10ADAM17KDM4EGAAALOX15

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
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 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 (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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA HSD17B10 3778/4885ADAM17 4090/4885KDM4E 1862/4885

“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.