SCHEMBL1667586

SCHEMBL1667586

CON(C)C(=O)CCCCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.69
MAPT P10636 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
KDM4A O75164 1/20 0.54
KDM5A P29375 1/20 0.54
KDM4C Q9H3R0 1/20 0.54
PHF8 Q9UPP1 1/20 0.54
KDM2A Q9Y2K7 1/20 0.54
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
KMT2A Q03164 1/20 0.49
HDAC3 O15379 1/20 0.49
MAPK1 P28482 1/20 0.49
ADRA1A P35348 1/20 0.49
HDAC4 P56524 1/20 0.49
SLC6A3 Q01959 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49

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
SCHEMBL829335 0.95 ALOX5 (0.61) ALOX5MAPTRXFP1KDM4AKDM5A
SCHEMBL1727025 0.88 KMT2A (0.62) ALOX5HDAC2KMT2AHDAC8HDAC6
Trifluoroacetic Acid SCHEMBL6465764 0.87 ALOX5 (0.52) ALOX5HDAC1HDAC2KMT2AHDAC3
SCHEMBL30765759 0.84 ALOX5 (0.57) ALOX5SMN1; SMN2
SCHEMBL386559 0.83 ALOX5 (0.77) ALOX5MAPTRXFP1KDM4AKDM5A
SCHEMBL1667475 0.83 HDAC1 (0.56) ALOX5MAPTHDAC1SLC6A3SMN1; SMN2
SCHEMBL4374049 0.82 BCHE (0.61) ALOX5KDM4AKDM4CHDAC1HDAC2
SCHEMBL16658768 0.81 ALOX5 (0.75) ALOX5MAPTRXFP1KDM4AKDM5A
SCHEMBL16658765 0.81 ALOX5 (0.75) ALOX5MAPTRXFP1KDM4AKDM5A
SCHEMBL16658769 0.81 ALOX5 (0.75) ALOX5MAPTRXFP1KDM4AKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370344-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders AVEXXIN AS (NO) 2019-08-06 US disclosed
US-10370344-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders AVEXXIN AS (NO) 2019-08-06 US disclosed
EP-3431084-A1 ANTIINFLAMMATORY 2-OXOTHIAZOLES Avexxin AS (NO) 2019-01-23 EP disclosed
EP-3431084-A1 ANTIINFLAMMATORY 2-OXOTHIAZOLES Avexxin AS (NO) 2019-01-23 EP disclosed
US-20170166539-A1 COMPOUND AVEXXIN AS (NO) 2017-06-15 US disclosed
US-20170166539-A1 COMPOUND AVEXXIN AS (NO) 2017-06-15 US disclosed
US-20170166539-A1 COMPOUND AVEXXIN AS (NO) 2017-06-15 US disclosed
US-9597318-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders AVEXXIN AS (NO) 2017-03-21 US disclosed
US-9597318-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders AVEXXIN AS (NO) 2017-03-21 US disclosed
US-9597318-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders AVEXXIN AS (NO) 2017-03-21 US disclosed
US-20100048727-A1 PERFLUOROKETONE COMPOUNDS AND USES THEREOF DAVID SAMUEL 2010-02-25 US disclosed
US-20100048727-A1 PERFLUOROKETONE COMPOUNDS AND USES THEREOF DAVID SAMUEL 2010-02-25 US disclosed
US-20100048727-A1 PERFLUOROKETONE COMPOUNDS AND USES THEREOF DAVID SAMUEL 2010-02-25 US disclosed
WO-2008122119-A1 PERFLUOROKETONE COMPOUNDS AND USES THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2008-10-16 WO disclosed
WO-2008068272-A2 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 WO disclosed
EP-0871439-B1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS AVENTIS PHARMA INC (US) 2004-03-31 EP disclosed
US-6057369-A USE IN THE TREATMENT OF DISEASE STATES ASSOCIATED WITH PROTEINS THAT MEDIATE CELLULAR ACTIVITY WHICH ARE CAPABLE OF BEING MODULATED BY INHIBITING A MATRIX METALLOPROTEINASE (MMP), TUMOR NECROSIS FACTOR (TNF) OR CYCLIC AMP RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 2000-05-02 US disclosed
EP-0871439-A4 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE POULENC RORER PHARMA (US) 1999-07-21 EP disclosed
EP-0871439-A1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-10-21 EP disclosed
WO-1997024117-A1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-10 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 (3 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-20170166539-A1 COMPOUND CBR1, CBR3, CCR1 ALOX5 381/4885MAPT 4608/4885RXFP1 1155/4885
US-20100048727-A1 PERFLUOROKETONE COMPOUNDS AND USES THEREOF PLA2G1B, PLA2G4B, PLA2G2E ALOX5 77/4885MAPT 3875/4885RXFP1 1029/4885
US-10370344-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders CX3CR1, LTC4S, CBR1 ALOX5 240/4885MAPT 4414/4885RXFP1 2561/4885

“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.