SCHEMBL15423259

SCHEMBL15423259

CC(=O)O[C@@H](CCCCOc1nn(CCCC[C@@H](C)O)c(=O)c2ccccc12)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
MAPT P10636 4/20 0.37
MEN1 O00255 3/20 0.37
HPGD P15428 2/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
PKM P14618 1/20 0.37
KAT2B Q92831 1/20 0.36
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
PSMB1 P20618 1/20 0.33
PSMB5 P28074 1/20 0.33
PPARG P37231 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL10046499 0.93 KMT2A (0.37) KMT2AMAPTMEN1HPGDUSP2
SCHEMBL14605534 0.90 KMT2A (0.36) KMT2AMAPTMEN1HPGDUSP2
SCHEMBL765562 0.88 KAT2B (0.39) KMT2AMAPTMEN1HPGDUSP2
SCHEMBL10046421 0.88 KAT2B (0.39) KMT2AMAPTMEN1HPGDUSP2
SCHEMBL765094 0.86 KAT2B (0.46) KMT2AMAPTMEN1HPGDUSP2
SCHEMBL10046422 0.85 KAT2B (0.36) KMT2AMAPTMEN1HPGDUSP2
SCHEMBL765129 0.83 KAT2B (0.42) KMT2AMAPTMEN1HPGDUSP2
SCHEMBL12443687 0.81 CNR2 (0.43) KMT2AMAPTMEN1TSHRPKM
SCHEMBL12443253 0.81 CNR2 (0.43) KMT2AMAPTMEN1TSHRPKM
SCHEMBL14605533 0.79 ALDH1A1 (0.43) KMT2AMAPTMEN1TSHRPKM

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-8987321-B2 Lisofylline analogs and methods for use UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-03-24 US disclosed
US-20140018355-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-01-16 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-20140018355-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE LPXN, LCT, SI KMT2A 2042/4885MAPT 4258/4885MEN1 3617/4885

“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.