SCHEMBL2599403

SCHEMBL2599403

O=C1C=C(SCCO)C(=O)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 7/20 1.00
SOAT1 P35610 13/20 0.71
CDC25A P30304 4/20 0.69
CDC25B P30305 4/20 0.69
MAP2K7 O14733 3/20 0.69
STAT3 P40763 1/20 0.66
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
APAF1 O14727 1/20 0.61
NPC1 O15118 1/20 0.61
GMNN O75496 1/20 0.61
TDP2 O95551 1/20 0.61
ALDH1A1 P00352 1/20 0.61
LMNA P02545 1/20 0.61
PLA2G1B P04054 1/20 0.61
TP53 P04637 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
MAPT P10636 1/20 0.61

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
SCHEMBL4629512 0.86 S100A4 (0.76) S100A4SOAT1CDC25ACDC25BMAP2K7
SCHEMBL16884397 0.83 SOAT1 (0.71) S100A4SOAT1CDC25ACDC25BMAP2K7
SCHEMBL7106792 0.83 SOAT1 (1.00) S100A4SOAT1CDC25ACDC25BMAP2K7
SCHEMBL2599351 0.82 S100A4 (1.00) S100A4SOAT1CDC25ACDC25BMAP2K7
SCHEMBL9270311 0.81 S100A4 (0.76) S100A4SOAT1CDC25ACDC25BMAP2K7
SCHEMBL2599427 0.80 SOAT1 (1.00) S100A4SOAT1CDC25ACDC25BMAP2K7
SCHEMBL9267240 0.80 S100A4 (0.69) S100A4SOAT1CDC25ACDC25BMAP2K7
SCHEMBL15732841 0.79 SOAT1 (1.00) S100A4SOAT1CDC25ACDC25BMAP2K7
SCHEMBL2599376 0.79 SOAT1 (1.00) S100A4SOAT1CDC25ACDC25BMAP2K7
SCHEMBL18191031 0.78 CDC25B (1.00) S100A4SOAT1CDC25ACDC25BMAP2K7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130090355-A1 CHEMICAL AGENTS FOR THE PREVENTION OF INHIBITION OR TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2013-04-11 US claimed
WO-2011146101-A1 CHEMICAL AGENTS FOR THE PREVENTION OR INHIBITION OF TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2011-11-24 WO claimed
US-20150192852-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PLATE MAKING METHOD FUJIFILM CORPORATION (JP) 2015-07-09 US disclosed
WO-2014045783-A1 ORIGINAL PLANOGRAPHIC PRINTING PLATE, AND PLATE MAKING METHOD 富士フイルム株式会社 (JP) 2014-03-27 WO disclosed
US-20130090355-A1 CHEMICAL AGENTS FOR THE PREVENTION OF INHIBITION OR TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2013-04-11 US disclosed
US-20130090355-A1 CHEMICAL AGENTS FOR THE PREVENTION OF INHIBITION OR TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2013-04-11 US disclosed
US-20130090355-A1 CHEMICAL AGENTS FOR THE PREVENTION OF INHIBITION OR TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2013-04-11 US disclosed
US-20120135013-A1 CD45 and Methods and Compounds Related Thereto ARMY, UNITED STATES 2012-05-31 US disclosed
US-20120135013-A1 CD45 and Methods and Compounds Related Thereto ARMY, UNITED STATES 2012-05-31 US disclosed
WO-2011146101-A1 CHEMICAL AGENTS FOR THE PREVENTION OR INHIBITION OF TUMOR METASTASIS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2011-11-24 WO disclosed
WO-2000008495-A2 ANTIPROLIFERATIVE NAPHTHOQUINONES, DERIVATIVES, COMPOSITIONS, AND USES THEREOF UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2000-02-17 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 (2 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-20130090355-A1 CHEMICAL AGENTS FOR THE PREVENTION OF INHIBITION OR TUMOR METASTASIS S100A4, S100A6, S100A10 S100A4 1/4885SOAT1 3535/4885CDC25A 248/4885
US-20120135013-A1 CD45 and Methods and Compounds Related Thereto PTPRC, PTPRO, PTPRCAP S100A4 630/4885SOAT1 3805/4885CDC25A 182/4885

“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.