SCHEMBL3484166

SCHEMBL3484166

CCC(CC)(NS(=O)(=O)c1nnc(-c2ccc(OCCCCl)cc2)s1)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
XIAP P98170 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC6 Q9UBN7 1/20 0.37
S1PR1 P21453 7/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
S1PR4 O95977 6/20 0.34
S1PR3 Q99500 6/20 0.34
S1PR5 Q9H228 6/20 0.34
HPGD P15428 1/20 0.34
DDX3X O00571 1/20 0.33
NR1H4 Q96RI1 1/20 0.33

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
SCHEMBL3483308 0.96 KDM4E (0.38) RAB9ALMNAMAPTXIAPSMN1; SMN2
SCHEMBL3483720 0.81 HDAC1 (0.41) RAB9ALMNAMAPTXIAPSMN1; SMN2
SCHEMBL3484165 0.77 RAB9A (0.41) RAB9ALMNAMAPTXIAPSMN1; SMN2
SCHEMBL3483775 0.77 HDAC1 (0.48) RAB9ALMNAMAPTXIAPSMN1; SMN2
SCHEMBL3484377 0.76 HDAC1 (0.39) RAB9ALMNAMAPTXIAPSMN1; SMN2
SCHEMBL3483840 0.74 RAB9A (0.50) RAB9ALMNAMAPTXIAPSMN1; SMN2
SCHEMBL3483306 0.73 KDM4E (0.39) RAB9ALMNAMAPTXIAPSMN1; SMN2
SCHEMBL3483445 0.73 HDAC1 (0.46) RAB9ALMNAMAPTXIAPSMN1; SMN2
SCHEMBL4036035 0.71 HDAC1 (0.43) RAB9ALMNAMAPTXIAPSMN1; SMN2
SCHEMBL3480460 0.71 CA2 (0.34) LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049200-B1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2015-04-29 EP disclosed
US-8440643-B2 Inhibitors of beta-lactamase METHYLGENE INC. (CA) 2013-05-14 US disclosed
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 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 (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-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS RAB9A 972/4885LMNA 1792/4885MAPT 3993/4885

“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.