SCHEMBL3579609

SCHEMBL3579609

O=C(O)CCSc1ncccc1C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.70
NPC1 O15118 2/20 0.70
RAB9A P51151 2/20 0.70
ALDH1A1 P00352 5/20 0.63
CYP2C9 P11712 1/20 0.63
GAA P10253 1/20 0.61
TP53 P04637 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.53
POLB P06746 1/20 0.53
KDM4E B2RXH2 1/20 0.52
HTT P42858 1/20 0.52
HSP90AA1 P07900 1/20 0.51
CDC25B P30305 1/20 0.50

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
SCHEMBL31412285 1.00 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C9
SCHEMBL10690383 0.91 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C9
SCHEMBL2750480 0.85 ALDH1A1 (0.74) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C9
SCHEMBL10827980 0.84 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C9
SCHEMBL3093813 0.84 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C9
SCHEMBL31332120 0.84 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C9
Hydrochloric Acid SCHEMBL10827864 0.83 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C9
SCHEMBL3171933 0.83 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C9
SCHEMBL15669005 0.81 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C9
SCHEMBL9850770 0.81 ALDH1A1 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C9

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 14 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
CN-100506825-C Heterotricyclyl 6-alkylidene-penems as beta epsilontaualpha-lactamase inhibitors WYETH CORP (US) 2009-07-01 CN disclosed
EP-1499622-B1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASE INHIBITORS WYETH CORP (US) 2009-03-11 EP disclosed
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors WYETH (US) 2008-12-25 US disclosed
EP-1885358-A2 TRICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D ß-LACTAMASES INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-02-13 EP disclosed
WO-2007030166-A2 TRICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D β-LACTAMASES INHIBITORS WYETH (US) 2007-03-15 WO disclosed
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors WYETH (US) 2006-12-07 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
CN-1649882-A Heterotricyclyl 6-alkylidene-penems as beta epsilontaualpha-lactamase inhibitors WYETH CORP (US) 2005-08-03 CN disclosed
EP-1499622-A1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASE INHIBITORS Wyeth (US) 2005-01-26 EP 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
WO-2003093280-A1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS ΒΕΤΑ-LACTAMASE INHIBITORS WYETH (US) 2003-11-13 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 (5 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 1450/4885NPC1 800/4885RAB9A 1712/4885
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP SMN1; SMN2 2433/4885NPC1 1676/4885RAB9A 2490/4885
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, MGAM, PREP SMN1; SMN2 2433/4885NPC1 1676/4885RAB9A 2490/4885
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, PGLS, MGAM SMN1; SMN2 4284/4885NPC1 2769/4885RAB9A 2285/4885
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP SMN1; SMN2 2305/4885NPC1 1423/4885RAB9A 2292/4885

“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.