SCHEMBL3868693

SCHEMBL3868693

O=C(ON1C(=O)CCC1=O)c1cc(OC2CCCCO2)cc(OC2CCCCO2)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
PDE4B Q07343 1/20 0.34
MGLL Q99685 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HSD11B1 P28845 1/20 0.32
HPGD P15428 1/20 0.32
PTPN1 P18031 1/20 0.31
DHFR P00374 1/20 0.31
SERPINE1 P05121 2/20 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
SCHEMBL14422348 0.79 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1HPGD
SCHEMBL220900 0.77 KMT2A (0.51) KMT2AMEN1HPGDPTPN1DHFR
SCHEMBL224697 0.76 RAB9A (0.44) KMT2AMEN1ALDH1A1HPGD
SCHEMBL18868394 0.72 ALDH1A1 (0.47) KMT2AMEN1PDE4BALDH1A1HPGD
SCHEMBL13404895 0.72 MGLL (0.37) KMT2AMEN1MGLLALDH1A1HPGD
SCHEMBL16509387 0.69 KMT2A (0.51) KMT2AMEN1ALDH1A1HPGD
SCHEMBL7897666 0.69 MGLL (0.33) KMT2AMEN1MGLLALDH1A1
SCHEMBL6887194 0.69 MGLL (0.34) KMT2AMEN1PDE4BMGLLALDH1A1
SCHEMBL13577642 0.68 DHFR (0.38) KMT2AMEN1HSD11B1PTPN1DHFR
SCHEMBL22927787 0.68 MEN1 (0.42) KMT2AMEN1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491741-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-17 US disclosed
US-20070155671-A1 Diaminopropionic acid derivatives FOTOUHI NADER 2007-07-05 US disclosed
US-7217728-B2 Diaminopropionic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-15 US disclosed
US-20050080119-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2005-04-14 US disclosed
US-6803384-B2 FOR THERAPY OF REPERFUSION INJURY HOFFMANN-LA ROCHE INC. 2004-10-12 US disclosed
US-20040006236-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2004-01-08 US disclosed
US-20020052512-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2002-05-02 US disclosed
US-6331640-B1 TREATMENT OF REPERFUSION INJURIES HOFFMANN-LA ROCHE INC. 2001-12-18 US disclosed
EP-1121342-A1 DIAMINOPROPIONIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-08-08 EP disclosed
WO-2000021920-A1 DIAMINOPROPIONIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-20 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 (4 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-20040006236-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A KMT2A 3790/4885MEN1 4444/4885PDE4B 746/4885
US-20020052512-A1 Diaminopropionic acid derivatives AIFM1, AIFM2, HIF1A KMT2A 3790/4885MEN1 4444/4885PDE4B 746/4885
US-20070155671-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 KMT2A 4000/4885MEN1 4739/4885PDE4B 581/4885
US-20050080119-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 KMT2A 4000/4885MEN1 4739/4885PDE4B 581/4885

“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.