SCHEMBL12401895

SCHEMBL12401895

CC(C)(C)OC(=O)/N=C(/NCCc1ccc(CCCc2ccc(CCN/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.53
CA1 P00915 5/20 0.53
NAMPT P43490 1/20 0.42
CTSK P43235 3/20 0.42
SIGMAR1 Q99720 2/20 0.39
NR1H2 P55055 1/20 0.39
PTGER4 P35408 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL18401365 0.94 CA2 (0.50) CA2CA1NAMPTCTSKNR1H2
SCHEMBL18401386 0.93 CA2 (0.49) CA2CA1NAMPTCTSKSIGMAR1
SCHEMBL8381013 0.91 CA2 (0.49) CA2CA1NAMPTCTSKNPC1
SCHEMBL15684582 0.91 CA2 (0.49) CA2CA1NAMPTPTGER4NPC1
SCHEMBL8381191 0.89 ESRRG (0.48) CA2CA1CTSKSIGMAR1NR1H2
SCHEMBL24670449 0.89 CA2 (0.48) CA2CA1NAMPTCTSKNR1H2
SCHEMBL20852622 0.88 CA2 (0.48) CA2CA1NAMPTCTSKSIGMAR1
SCHEMBL29958774 0.85 CA2 (0.47) CA2CA1NAMPTCTSKNR1H2
SCHEMBL29958435 0.84 CA2 (0.46) CA2CA1NAMPTCTSKSIGMAR1
SCHEMBL16208880 0.84 CA2 (0.50) CA2CA1NAMPTCTSKSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703825-B2 Compounds, use thereof as medicaments, and method of preparation thereof UNIVERSITE DE LORRAINE (FR) 2014-04-22 US disclosed
US-20110184070-A1 NOVEL COMPOUNDS, USE THEREOF AS MEDICAMENTS, AND METHOD OF PREPARATION THEREOF UNIVERSITE HENRI POINCARE NANCY 1 (FR) 2011-07-28 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-20110184070-A1 NOVEL COMPOUNDS, USE THEREOF AS MEDICAMENTS, AND METHOD OF PREPARATION THEREOF CYP11B2, NPM1, B2M CA2 208/4885CA1 642/4885NAMPT 1149/4885

“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.