SCHEMBL7797469

SCHEMBL7797469

CCC(=O)NOC(=O)CC(=O)ONC(=O)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.42
GAA P10253 2/20 0.42
SI P14410 2/20 0.42
MGAM2 Q2M2H8 2/20 0.42
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 4/20 0.36
CYP2C9 P11712 1/20 0.34
TSHR P16473 3/20 0.33
CTSD P07339 1/20 0.33
POLB P06746 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
FFAR3 O14843 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
CCR6 P51684 1/20 0.31
MCL1 Q07820 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
SCHEMBL4897752 0.90 KMT2A (0.39) MGAMGAASIMGAM2KMT2A
SCHEMBL27447605 0.83 ALDH1A1 (0.54) MGAMGAASIMGAM2KMT2A
SCHEMBL8999384 0.79
SCHEMBL8458617 0.78 TSHR (0.60) KMT2AMEN1ALDH1A1TSHRPOLB
Hydrogen Sulfide SCHEMBL28029834 0.77 DGKA (0.47) KMT2AMEN1ALDH1A1TSHRPOLB
SCHEMBL28020232 0.73 TSHR (0.42) MGAMGAASIMGAM2KMT2A
SCHEMBL14829167 0.73 ALDH1A1 (0.39) MGAMGAASIMGAM2KMT2A
SCHEMBL25059 0.72
SCHEMBL7263173 0.72 MGAM (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11476338 0.72 MEN1 (0.33) KMT2AMEN1ALDH1A1CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440533-B1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS SOCPRA SCIENCES ET GÉNIE S E C (CA) 2015-09-23 EP claimed
US-20010008947-A1 2-AMINO-4-PHENYL-4-OXO-BUTYRIC ACID DERIVATIVES VARASI MARIO (IT) 2001-07-19 US disclosed
EP-0662948-B1 2-AMINO-4-PHENYL-4-OXO-BUTYRIC ACID DERIVATIVES WITH KYNURENINASE AND/OR KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY PHARMACIA & UPJOHN SPA (IT) 1998-10-07 EP disclosed
EP-0662948-A1 2-AMINO-4-PHENYL-4-OXO-BUTYRIC ACID DERIVATIVES WITH KYNURENINASE AND/OR KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY PHARMACIA & UPJOHN S.p.A. (IT) 1995-07-19 EP disclosed
EP-0650360-A1 PHOSPHONO DERIVATIVES AS ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS THE UPJOHN COMPANY (US) 1995-05-03 EP disclosed
WO-1995003271-A1 2-AMINO-4-PHENYL-4-OXO-BUTYRIC ACID DERIVATIVES WITH KYNURENINASE AND/OR KYNURENINE-3-HYDROXYLASE INHIBITING ACTIVITY PHARMACIA S.P.A. (IT) 1995-02-02 WO disclosed
WO-1994002152-A2 PHOSPHONO DERIVATIVES AS ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS THE UPJOHN COMPANY (US) 1994-02-03 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 (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-20010008947-A1 2-AMINO-4-PHENYL-4-OXO-BUTYRIC ACID DERIVATIVES KYNU, KMO, ABAT MGAM 1000/4885GAA 363/4885SI 585/4885

“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.