SCHEMBL2599376

SCHEMBL2599376

CCSC1=CC(=O)c2ccccc2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 13/20 1.00
S100A4 P26447 6/20 1.00
MAP2K7 O14733 4/20 0.63
CDC25A P30304 4/20 0.63
CDC25B P30305 4/20 0.63
ELANE P08246 1/20 0.53

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
SCHEMBL7106792 0.86 SOAT1 (1.00) SOAT1S100A4MAP2K7CDC25ACDC25B
SCHEMBL2599427 0.83 SOAT1 (1.00) SOAT1S100A4MAP2K7CDC25ACDC25B
SCHEMBL15732841 0.82 SOAT1 (1.00) SOAT1S100A4MAP2K7CDC25ACDC25B
SCHEMBL15732931 0.80 SOAT1 (1.00) SOAT1S100A4MAP2K7CDC25ACDC25B
SCHEMBL15732808 0.80 SOAT1 (1.00) SOAT1S100A4MAP2K7CDC25ACDC25B
SCHEMBL15732984 0.80 SOAT1 (1.00) SOAT1S100A4MAP2K7CDC25ACDC25B
SCHEMBL15732972 0.80 SOAT1 (1.00) SOAT1S100A4MAP2K7CDC25ACDC25B
SCHEMBL358334 0.80 SOAT1 (1.00) SOAT1S100A4MAP2K7CDC25ACDC25B
SCHEMBL16884397 0.79 SOAT1 (0.71) SOAT1S100A4MAP2K7CDC25ACDC25B
SCHEMBL2599403 0.79 S100A4 (1.00) SOAT1S100A4MAP2K7CDC25ACDC25B

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
EP-3182129-B1 METHOD OF SCREENING A THERAPEUTIC AGENT FOR K-RAS MUTANT CANCER RAND BIO SCIENCE INC (KR) 2018-12-26 EP disclosed
EP-3182129-A1 CHEMICAL INHIBITOR OF P53-SNAIL BINDING AND PHARMACEUTICAL COMPOSITION FOR TREATING CANCER DISEASE CONTAINING SAME AS ITS ACTIVE INGREDIENT RAND Bio Science Inc. (KR) 2017-06-21 EP disclosed
US-9400281-B2 Method of screening of therapeutic agents for K-Ras mutant driven cancers PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2016-07-26 US disclosed
US-20140147866-A1 COMPOUND FOR INHIBITING SNAIL-P53 BINDING AND THERAPEUTIC AGENT FOR CANCER INCLUDING THE COMPOUND AS EFFECTIVE COMPONENT THE INDUSTRY & ACADEMIC COOPERATION IN CHUNGNAM NATIONAL UNIVERSITY (KR) 2014-05-29 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
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

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-20130090355-A1 CHEMICAL AGENTS FOR THE PREVENTION OF INHIBITION OR TUMOR METASTASIS S100A4, S100A6, S100A10 SOAT1 3535/4885S100A4 1/4885MAP2K7 4152/4885

“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.