SCHEMBL6913359

SCHEMBL6913359

NCCC(=O)NCCS(=O)(=O)O.[Zn]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
CYP2C19 P33261 2/20 0.44
SLC6A6 P31641 1/20 0.44
BLM P54132 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
APP P05067 1/20 0.41
CYP2D6 P10635 2/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MMP2 P08253 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
SLC6A5 Q9Y345 2/20 0.35
CASP2 P42575 1/20 0.34
KDM4A O75164 1/20 0.33
HIF1A Q16665 1/20 0.33
TET2 Q6N021 1/20 0.33

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
SCHEMBL4183162 0.98 LMNA (0.46) LMNACYP2C19SLC6A6BLML3MBTL1
SCHEMBL10886005 0.86 APP (0.50) LMNACYP2C19SLC6A6BLML3MBTL1
SCHEMBL28920803 0.83 SLC6A5 (0.53) LMNACYP2C19SLC6A6BLMAPP
SCHEMBL30407466 0.83 L3MBTL1 (0.47) LMNACYP2C19SLC6A6BLML3MBTL1
SCHEMBL1492162 0.81 LMNA (0.44) LMNACYP2C19SLC6A6BLML3MBTL1
SCHEMBL3899861 0.80 L3MBTL1 (0.39) LMNACYP2C19SLC6A6BLML3MBTL1
SCHEMBL20226746 0.79 CA2 (0.39) LMNACYP2C19SLC6A6BLML3MBTL1
Zinc Ion SCHEMBL6913362 0.78 L3MBTL1 (0.41) LMNACYP2C19L3MBTL1CYP2D6CYP3A4
SCHEMBL3897865 0.78 L3MBTL1 (0.38) LMNACYP2C19SLC6A6BLML3MBTL1
SCHEMBL7204674 0.78 CASP2 (0.52) LMNACYP2C19L3MBTL1CYP2D6CYP3A4

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 8 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-6451853-B1 Small molecules that elicit a polarized Th1 response and for modulation of cellular immunity DOVETAIL TECHNOLOGIES, INC 2002-09-17 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-1999042099-A1 LOW MOLECULAR WEIGHT COMPOUNDS ADMINISTERED TOGETHER WITH ANTI-CANCER AGENTS TO TREAT CANCER AND PHARMACEUTICAL COMPOSITIONS THEREOF DOVETAIL TECHNOLOGIES INC. (US) 1999-08-26 WO 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 LMNA 3542/4885CYP2C19 4816/4885SLC6A6 4634/4885

“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.