SCHEMBL6160109

SCHEMBL6160109

C=CCN(CC=C)C(=O)CO

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.35
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.33
DPP4 P27487 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 3/20 0.32
ALOX12 P18054 1/20 0.31
CCR6 P51684 1/20 0.31
CYP1A2 P05177 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
SCHEMBL11839693 0.91 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBMAPTHPGD
SCHEMBL16350574 0.81 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2POLBMAPTHPGD
SCHEMBL362773 0.81 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2POLBMAPTHPGD
SCHEMBL11016895 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2POLBDPP4
SCHEMBL3305715 0.79 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2POLBMAPTHPGD
SCHEMBL6160104 0.79 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2POLBMAPTHPGD
SCHEMBL5485685 0.79 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2POLBMAPTHPGD
SCHEMBL8068413 0.77 ALDH1A1 (0.91) ALDH1A1SMN1; SMN2POLBMAPTHPGD
N,N-Diallyl-2-Chloroacetamide SCHEMBL4886939 0.77 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2POLBMAPTHPGD
N,N-Diallyl-2-Chloroacetamide SCHEMBL53540 0.77 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2POLBMAPTHPGD

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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US claimed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP claimed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 WO claimed
US-4334073-A BASIC CATALYSTS, DEACETYLATION, ESTERIFICATION BAYER AKTIENGESELLSCHAFT (DE) 1982-06-08 US claimed
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 WO disclosed
US-4757113-A Blending resin carrying functional groups reactive with isocyanate group with a blocked polyisocyanate compound reactive in the presence of heat with above functional groups to provide crosslinking VIANOVA KUNSTHARZ, A. G. (AT) 1988-07-12 US disclosed
US-4009192-A HERBICIDES BASF AKTIENGESELLSCHAFT (DT) 1977-02-22 US disclosed
US-3932448-A FUNGICIDES, MITICIDES E. I. DU PONT DE NEMOURS & COMPANY (US) 1976-01-13 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP ALDH1A1 961/4885SMN1; SMN2 2211/4885POLB 3621/4885

“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.