SCHEMBL10263157

SCHEMBL10263157

CO/N=C(/C(C)=O)c1csc(N)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
NR1I2 O75469 4/20 0.46
PGR P06401 1/20 0.46
PTGS2 P35354 1/20 0.46
ITGB1 P05556 2/20 0.44
ITGA4 P13612 2/20 0.44
ALB P02768 1/20 0.43
PPARG P37231 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
SLC22A11 Q9NSA0 1/20 0.43
HTR2C P28335 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL14074009 1.00 MAPT (0.49) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL3929244 0.88 MAPT (0.48) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL8120449 0.88 MAPT (0.48) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL968131 0.88 MAPT (0.59) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL3737087 0.88 MAPT (0.48) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL5694533 0.88 MAPT (0.59) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL968132 0.88 MAPT (0.59) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL9982497 0.88 MAPT (0.48) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL19236061 0.88 MAPT (0.48) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL3736579 0.86 MAPT (0.47) MAPTLMNAGAAALDH1A1MEN1

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
WO-2017216764-A1 N-(ALKANOYL)-7-OXO-6-SULFOOXY-1,6-DIAZABICYCLO[3.2.1]OCTANE-2-CARBONYLHYDRAZIDE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS WOCKHARDT LIMITED (IN) 2017-12-21 WO disclosed
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 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 (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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B MAPT 1662/4885LMNA 485/4885GAA 121/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B MAPT 1662/4885LMNA 485/4885GAA 121/4885

“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.