SCHEMBL1315044

SCHEMBL1315044

C[C@H](NS(=O)(=O)/C=C/c1cccc(Br)n1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.48
HTT P42858 1/20 0.40
UCHL1 P09936 1/20 0.38
USP5 P45974 1/20 0.38
USP9X Q93008 1/20 0.38
CNR2 P34972 2/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
NFE2L2 Q16236 1/20 0.34
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CNR1 P21554 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
GAA P10253 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
SCHEMBL1315048 1.00 STAT3 (0.48) STAT3HTTUCHL1USP5USP9X
SCHEMBL1315046 1.00 STAT3 (0.48) STAT3HTTUCHL1USP5USP9X
SCHEMBL13474828 1.00 STAT3 (0.48) STAT3HTTUCHL1USP5USP9X
SCHEMBL1315051 1.00 STAT3 (0.48) STAT3HTTUCHL1USP5USP9X
SCHEMBL13474843 0.85 HTT (0.40) STAT3HTTCNR2ALDH1A1POLB
SCHEMBL14403128 0.85 HTT (0.40) STAT3HTTCNR2ALDH1A1POLB
SCHEMBL1316380 0.74 LMNA (0.61) STAT3HTTUCHL1USP5USP9X
SCHEMBL1316383 0.74 LMNA (0.61) STAT3HTTUCHL1USP5USP9X
SCHEMBL1316385 0.74 LMNA (0.61) STAT3HTTUCHL1USP5USP9X
SCHEMBL1316382 0.74 LMNA (0.61) STAT3HTTUCHL1USP5USP9X

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150094343-A1 ORALLY BIOAVAILABLE CAFFEIC ACID RELATED ANTICANCER DRUGS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-04-02 US disclosed
US-20150094343-A1 ORALLY BIOAVAILABLE CAFFEIC ACID RELATED ANTICANCER DRUGS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-04-02 US disclosed
US-20150094343-A1 ORALLY BIOAVAILABLE CAFFEIC ACID RELATED ANTICANCER DRUGS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-04-02 US disclosed
CN-101454275-B Orally bioavailable caffeic acid related anticancer drugs UNIV TEXAS 2014-07-23 CN disclosed
US-8779151-B2 Orally bioavailable caffeic acid related anticancer drugs THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-07-15 US disclosed
US-8779151-B2 Orally bioavailable caffeic acid related anticancer drugs THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-07-15 US disclosed
US-8779151-B2 Orally bioavailable caffeic acid related anticancer drugs THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-07-15 US disclosed
US-20130244986-A1 METHODS OF TREATING SKIN DISORDERS WITH CAFFEIC ACID ANALOGS MOLECULIN LLC (US) 2013-09-19 US disclosed
US-20130244986-A1 METHODS OF TREATING SKIN DISORDERS WITH CAFFEIC ACID ANALOGS MOLECULIN LLC (US) 2013-09-19 US disclosed
US-8450337-B2 Methods of treating skin disorders with caffeic acid analogs MOLECULIN, LLC (US) 2013-05-28 US disclosed
US-20100152143-A1 Methods of Treating Skin Disorders with Caffeic Acid Analogs MOLECULIN, LLC (US) 2010-06-17 US disclosed
US-20100152143-A1 Methods of Treating Skin Disorders with Caffeic Acid Analogs MOLECULIN, LLC (US) 2010-06-17 US disclosed
CN-101454275-A Orally bioavailable caffeic acid related anticancer drugs UNIV TEXAS (US) 2009-06-10 CN disclosed
EP-2007714-A2 ORALLY BIOAVAILABLE CAFFEIC ACID RELATED ANTICANCER DRUGS The Board of Regents of The University of Texas System (US) 2008-12-31 EP disclosed
WO-2008005954-A2 TRYPHOSTIN-ANALOGS FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-01-10 WO disclosed
WO-2007115269-A2 ORALLY BIOAVAILABLE CAFFEIC ACID RELATED ANTICANCER DRUGS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-10-11 WO disclosed
WO-2007115269-A2 ORALLY BIOAVAILABLE CAFFEIC ACID RELATED ANTICANCER DRUGS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-10-11 WO disclosed
US-20070232668-A1 Orally Bioavailable Caffeic Acid Related Anticancer Drugs THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2007-10-04 US disclosed
US-20070232668-A1 Orally Bioavailable Caffeic Acid Related Anticancer Drugs THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2007-10-04 US disclosed
US-20070232668-A1 Orally Bioavailable Caffeic Acid Related Anticancer Drugs THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2007-10-04 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-20070232668-A1 Orally Bioavailable Caffeic Acid Related Anticancer Drugs STAT3, JAK2, STAT5A STAT3 1/4885HTT 2138/4885UCHL1 3737/4885
US-20100152143-A1 Methods of Treating Skin Disorders with Caffeic Acid Analogs CUTA, TYR, PPARA STAT3 414/4885HTT 1648/4885UCHL1 3330/4885
US-20150094343-A1 ORALLY BIOAVAILABLE CAFFEIC ACID RELATED ANTICANCER DRUGS STAT3, JAK2, STAT5A STAT3 1/4885HTT 2138/4885UCHL1 3737/4885
US-20130244986-A1 METHODS OF TREATING SKIN DISORDERS WITH CAFFEIC ACID ANALOGS CUTA, TYR, PPARA STAT3 414/4885HTT 1648/4885UCHL1 3330/4885

“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.