SCHEMBL6908706

SCHEMBL6908706

NCCC(=O)NCCP(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
PGK1 P00558 1/20 0.44
PGK2 P07205 1/20 0.44
CYP3A4 P08684 2/20 0.43
LMNA P02545 2/20 0.43
NFKB1 P19838 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
TSHR P16473 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
LPAR1 Q92633 1/20 0.41
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
OTC P00480 1/20 0.35

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
SCHEMBL28920865 0.85 LPAR1 (0.50) ALDH1A1PGK1PGK2CYP3A4LMNA
Zinc Ion SCHEMBL6051941 0.80 TSHR (0.41) ALDH1A1CYP3A4LMNATSHRCYP2D6
SCHEMBL10285862 0.79 CASP2 (0.53) PGK1PGK2LPAR1MMP2
Phosphoric Acid SCHEMBL6916276 0.79 CNR1 (0.40) ALDH1A1CYP3A4LMNABLMTSHR
SCHEMBL14002749 0.78 ALDH1A1 (0.43) ALDH1A1CYP3A4LMNATSHRCYP2D6
Phosphoric Acid SCHEMBL29174740 0.78 HDAC3 (0.46) ALDH1A1CYP3A4LMNATSHRCYP2D6
SCHEMBL4760493 0.77
Phosphoric Acid SCHEMBL11422019 0.76 NAAA (0.43) CYP3A4LMNATSHRCYP2D6CYP2C19
SCHEMBL19201628 0.76 PGK1 (0.48) ALDH1A1PGK1PGK2LPAR1GRIN2D
SCHEMBL12638220 0.75 CA1 (0.41) ALDH1A1CYP3A4LMNATSHRCYP2D6

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
US-6762174-B1 BETA-ALETHINE WITH MELPHALAN OR CYCLOPHOSPHAMIDE; PREVENTS CLINICAL APPEARANCE OF A NEOPLASTIC OR PRE-NEOPLASTIC CONDITION; IMMUNOMODULATION; ENHANCING CELL GROWTH, VITALITY, DIFFERENTIATION; ANTISENESCENCE DOVETAIL TECHNOLOGIES, INC. 2004-07-13 US disclosed
US-6498150-B2 USEFUL IN ENHANCING VACCINATION, INCREASING SYNTHESIS AND FUNCTION OF BLOOD CELL COMPONENTS, AND ENHANCING ANTITUMOR EFFECTS DOVETAIL TECHNOLOGIES, INC. 2002-12-24 US disclosed
US-20020035118-A1 LOW MOLECULAR WEIGHT CELL, BONE MARROW AND IMMUNE STIMULANTS DOVETAIL TECHNOLOGIES INC. 2002-03-21 US disclosed
US-6007819-A Methods of inducing immunity using low molecular weight immune stimulants DOVETAIL TECHNOLOGIES, INC. (US) 1999-12-28 US disclosed
WO-1999042097-A1 SMALL MOLECULES THAT ELICIT A POLARIZED TH1 RESPONSE AND FOR MODULATION OF CELLULAR IMMUNITY DOVETAIL TECHNOLOGIES INC. (US) 1999-08-26 WO disclosed
WO-1997014306-A1 LOW MOLECULAR WEIGHT CELL, BONE MARROW AND IMMUNE STIMULANTS DOVETAIL TECHNOLOGIES, INC. (US) 1997-04-24 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-20020035118-A1 LOW MOLECULAR WEIGHT CELL, BONE MARROW AND IMMUNE STIMULANTS ACP1, CD14, HPGDS ALDH1A1 4086/4885PGK1 752/4885PGK2 1079/4885

“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.