SCHEMBL3822159

SCHEMBL3822159

CC(=O)Nc1ccc(C2CCCCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.67
HDAC8 Q9BY41 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
HDAC3 O15379 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
DEGS1 O15121 1/20 0.60
DHODH Q02127 1/20 0.58
MITF O75030 1/20 0.56
KLF5 Q13887 1/20 0.56
NAMPT P43490 1/20 0.56
RORC P51449 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
HTT P42858 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 5/20 0.55
HPGD P15428 2/20 0.55
NPC1 O15118 1/20 0.52
USP2 O75604 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 2/20 0.51

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
SCHEMBL15157030 0.98 SLC18A3 (0.68) SLC18A3HDAC8HDAC6HDAC3HDAC11
SCHEMBL16022196 0.95 SLC18A3 (0.62) SLC18A3HDAC8HDAC6HDAC3HDAC11
SCHEMBL5868999 0.91 SLC18A3 (0.63) SLC18A3HDAC8HDAC6HDAC3HDAC11
SCHEMBL11356835 0.85 HDAC8 (0.64) HDAC8HDAC6HDAC3HDAC11DEGS1
SCHEMBL23142766 0.84 SLC18A3 (0.57) SLC18A3HDAC8HDAC6HDAC3HDAC11
SCHEMBL11215485 0.84 HDAC8 (0.62) SLC18A3HDAC8HDAC6HDAC3HDAC11
SCHEMBL10127506 0.83 NAMPT (0.59) SLC18A3NAMPTCYP2C19HSD17B10
SCHEMBL23718998 0.83 HDAC8 (0.57) SLC18A3HDAC8HDAC6HDAC3HDAC11
SCHEMBL28263687 0.82
SCHEMBL7760744 0.82 HDAC8 (0.60) SLC18A3HDAC8HDAC6HDAC3HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969578-B2 Inhibitors of STAT3 UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-03-03 US disclosed
US-8969578-B2 Inhibitors of STAT3 UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-03-03 US disclosed
US-20110223661-A1 INHIBITORS OF STAT3 UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, (US) 2011-09-15 US disclosed
US-20110223661-A1 INHIBITORS OF STAT3 UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, (US) 2011-09-15 US disclosed
EP-1567477-B1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2009-09-09 EP disclosed
EP-2090566-A2 Certain phenylacetic acids and derivatives Novartis AG (CH) 2009-08-19 EP disclosed
WO-2008099221-A1 AMIDE AND UREA DERIVATIVES FOR THE TREATMENT OF METABOLIC DISEASES PROSIDION LIMITED (GB) 2008-08-21 WO disclosed
US-20070280957-A1 Change of the Load State of Mhc Molecules MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2007-12-06 US disclosed
US-7202364-B2 Certain phenylacetic acids and derivatives NOVARTIS, AG (CH) 2007-04-10 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
CN-1729157-A Substituted amino phenylacetic acids, derivatives thereof, their preparation and their use as cyclooxygenase 2 (COX-2) inhibitors NOVARTIS AG (CH) 2006-02-01 CN disclosed
EP-1567477-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS Novartis AG (CH) 2005-08-31 EP disclosed
US-20040132769-A1 Certain phenylacetic acids and derivatives NOVARTIS AG (CH) 2004-07-08 US disclosed
WO-2004048314-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2004-06-10 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 (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-20110223661-A1 INHIBITORS OF STAT3 STAT3, JAK2, STAT1 SLC18A3 4880/4885HDAC8 545/4885HDAC6 70/4885
US-20040132769-A1 Certain phenylacetic acids and derivatives CYP2A6, HCAR2, CYP2B6 SLC18A3 3056/4885HDAC8 1105/4885HDAC6 1127/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 SLC18A3 4273/4885HDAC8 357/4885HDAC6 170/4885
US-20070280957-A1 Change of the Load State of Mhc Molecules HLA-DRB1, MICA, CD74 SLC18A3 814/4885HDAC8 2072/4885HDAC6 513/4885

“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.