SCHEMBL2599202

SCHEMBL2599202

CC1=C(SCCO)C(=O)c2ccccc2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 11/20 1.00
CDC25A P30304 9/20 1.00
S100A4 P26447 7/20 1.00
MAP2K7 O14733 6/20 0.79
MEN1 O00255 2/20 0.79
MAPT P10636 2/20 0.79
KMT2A Q03164 2/20 0.79
HKDC1 Q2TB90 2/20 0.79
NPSR1 Q6W5P4 2/20 0.79
TDP1 Q9NUW8 2/20 0.79
L3MBTL1 Q9Y468 2/20 0.79
CDC25C P30307 2/20 0.79
KDM4E B2RXH2 1/20 0.79
APAF1 O14727 1/20 0.79
NPC1 O15118 1/20 0.79
GMNN O75496 1/20 0.79
TDP2 O95551 1/20 0.79
ALDH1A1 P00352 1/20 0.79
LMNA P02545 1/20 0.79
PLA2G1B P04054 1/20 0.79

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
SCHEMBL2530685 0.89 CDC25B (1.00) CDC25BCDC25AS100A4MAP2K7MEN1
SCHEMBL17323863 0.84 CDC25B (0.83) CDC25BCDC25AS100A4MAP2K7MEN1
SCHEMBL17249980 0.84 CDC25B (0.73) CDC25BCDC25AS100A4MAP2K7MEN1
SCHEMBL16884403 0.82 CDC25B (0.70) CDC25BCDC25AS100A4MAP2K7MEN1
SCHEMBL29527717 0.81 CDC25B (1.00) CDC25BCDC25AS100A4MAP2K7MEN1
SCHEMBL7081685 0.81 CDC25B (1.00) CDC25BCDC25AS100A4MAP2K7MEN1
SCHEMBL8160251 0.81 S100A4 (0.68) CDC25BCDC25AS100A4MAP2K7MEN1
SCHEMBL8162262 0.81 S100A4 (0.68) CDC25BCDC25AS100A4MAP2K7MEN1
SCHEMBL15630311 0.81 CDC25A (0.77) CDC25BCDC25AS100A4MAP2K7MEN1
SCHEMBL2599346 0.79 CDC25B (1.00) CDC25BCDC25AS100A4MAP2K7MEN1

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 17 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
WO-2015172076-A1 NAPHTHAQUINONE METHYLTRANSFERASE INHIBITORS AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2015-11-12 WO disclosed
US-20150302140-A1 IN SILICO IDENTIFICATION OF CANCER MOLECULAR SIGNALING PATHWAYS AND DRUG CANDIDATES H. LEE MOFFIT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-10-22 US disclosed
US-20150192852-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PLATE MAKING METHOD FUJIFILM CORPORATION (JP) 2015-07-09 US disclosed
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES AG (AT) 2014-11-27 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
EP-2674161-A1 FMO3 inhibitors for treating pain Akron Molecules GmbH (AT) 2013-12-18 EP disclosed
US-20130252924-A1 Compounds and Methods for Treating Pain AKRON MOLECULES GMBH (AT) 2013-09-26 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-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
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
US-7504430-B2 Maleiimide anti-tumor phosphatase inhibitors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-03-17 US disclosed
US-7504430-B2 Maleiimide anti-tumor phosphatase inhibitors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-03-17 US disclosed
US-20080039518-A1 Maleiimide anti-tumor phosphatase inhibitors GOVERNMENT OF THE US, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-02-14 US disclosed
US-20080039518-A1 Maleiimide anti-tumor phosphatase inhibitors GOVERNMENT OF THE US, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-02-14 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 (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-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN TRPV1, ACHE, OPRL1 CDC25B 4659/4885CDC25A 4765/4885S100A4 334/4885
US-20130090355-A1 CHEMICAL AGENTS FOR THE PREVENTION OF INHIBITION OR TUMOR METASTASIS S100A4, S100A6, S100A10 CDC25B 211/4885CDC25A 248/4885S100A4 1/4885
US-20080039518-A1 Maleiimide anti-tumor phosphatase inhibitors ACP3, PPME1, DUSP5 CDC25B 38/4885CDC25A 39/4885S100A4 1826/4885
US-20130252924-A1 Compounds and Methods for Treating Pain TRPV1, ACHE, OPRL1 CDC25B 4659/4885CDC25A 4765/4885S100A4 334/4885

“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.