SCHEMBL3590768

SCHEMBL3590768

COC(=O)c1ccc2nc3sccn3c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.52
HPGD P15428 6/20 0.52
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 2/20 0.52
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
POLB P06746 3/20 0.52
ACSS2 Q9NR19 1/20 0.46
HTT P42858 3/20 0.45
ALOX15 P16050 1/20 0.45
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
USP2 O75604 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAPK1 P28482 1/20 0.43
LCK P06239 1/20 0.43
LMNA P02545 3/20 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
SCHEMBL13404827 0.89 HPGD (0.52) SMN1; SMN2HPGDKDM4EALDH1A1HSD17B10
SCHEMBL9770726 0.81 ALDH1A1 (0.56) SMN1; SMN2HPGDKDM4EALDH1A1HSD17B10
SCHEMBL29721590 0.80 KDM4E (0.51) SMN1; SMN2HPGDKDM4EALDH1A1HSD17B10
SCHEMBL16328033 0.75 ALOX15 (0.48) SMN1; SMN2HPGDALDH1A1HSD17B10NPC1
SCHEMBL14091482 0.74 BRD4 (0.52) SMN1; SMN2HPGDKDM4EALDH1A1HSD17B10
SCHEMBL31500068 0.74 CSNK2A1 (0.49) KDM4EACSS2HTTALOX15LCK
SCHEMBL24541135 0.72 MAPK8 (0.47) HPGDKDM4EALDH1A1HSD17B10ACSS2
SCHEMBL31721245 0.71 HTT (0.49) SMN1; SMN2HPGDKDM4EALDH1A1HSD17B10
SCHEMBL13424032 0.71 ALOX12 (0.41) SMN1; SMN2HPGDKDM4EALDH1A1HSD17B10
SCHEMBL3596405 0.71 NPC1 (0.61) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691842-B2 Tricyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH LLC (US) 2010-04-06 US disclosed
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors WYETH (US) 2008-12-25 US disclosed
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH (US) 2006-04-06 US disclosed
US-7018997-B2 Tricyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH (US) 2006-03-28 US disclosed
US-20040132708-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-07-08 US disclosed
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH 2004-03-04 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 (4 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-20040132708-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 SMN1; SMN2 1450/4885HPGD 728/4885KDM4E 1977/4885
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP SMN1; SMN2 2433/4885HPGD 563/4885KDM4E 1243/4885
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, MGAM, PREP SMN1; SMN2 2433/4885HPGD 563/4885KDM4E 1243/4885
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP SMN1; SMN2 2305/4885HPGD 594/4885KDM4E 1360/4885

“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.