SCHEMBL1667475

SCHEMBL1667475

CON(C)C(=O)CCCCc1ccc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
CYP1A2 P05177 3/20 0.55
SIGMAR1 Q99720 1/20 0.52
HCAR2 Q8TDS4 1/20 0.48
ALOX5 P09917 3/20 0.48
NAAA Q02083 1/20 0.47
SLC6A2 P23975 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
MAOA P21397 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MC4R P32245 2/20 0.44
MC3R P41968 2/20 0.44

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
SCHEMBL1667586 0.83 ALOX5 (0.69) HDAC1HDAC8ALOX5SLC6A3MAPT
SCHEMBL18792028 0.81 MC4R (0.50) CYP1A2SIGMAR1ALOX5SLC6A2SLC6A3
SCHEMBL17578809 0.80 HDAC1 (0.65) HDAC1HDAC8CYP1A2SIGMAR1HCAR2
SCHEMBL829335 0.78 ALOX5 (0.61) HDAC1HDAC8ALOX5SLC6A3NPC1
SCHEMBL13498519 0.78 HDAC1 (0.66) HDAC1HDAC8CYP1A2SIGMAR1HCAR2
SCHEMBL8422184 0.78 HDAC1 (0.58) HDAC1HDAC8CYP1A2SIGMAR1HCAR2
SCHEMBL8016522 0.77 HDAC1 (0.68) HDAC1HDAC8CYP1A2SIGMAR1HCAR2
SCHEMBL9128919 0.77 HDAC1 (0.68) HDAC1HDAC8CYP1A2SIGMAR1HCAR2
SCHEMBL7831694 0.77 HDAC1 (0.60) HDAC1HDAC8CYP1A2SIGMAR1HCAR2
SCHEMBL5638276 0.76 CYP1A2 (0.90) HDAC1HDAC8CYP1A2SIGMAR1HCAR2

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 16 patents. 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
EP-2482815-A1 ANTI INFLAMMATORY 2-OXOTHIAZOLES AND 2 -OXOOXAZOLES Avexxin AS (NO) 2012-08-08 EP disclosed
US-20110136879-A1 COMPOUND AVEXXIN AS (NO) 2011-06-09 US disclosed
US-20110136879-A1 COMPOUND AVEXXIN AS (NO) 2011-06-09 US disclosed
US-20110136879-A1 COMPOUND AVEXXIN AS (NO) 2011-06-09 US disclosed
WO-2011039365-A1 ANTI INFLAMMATORY 2-OXOTHIAZOLES AND 2 -OXOOXAZOLES AVEXXIN AS (NO) 2011-04-07 WO disclosed
WO-2011039365-A1 ANTI INFLAMMATORY 2-OXOTHIAZOLES AND 2 -OXOOXAZOLES AVEXXIN AS (NO) 2011-04-07 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-20110136879-A1 COMPOUND CBR1, CBR3, CCR1 HDAC1 457/4885HDAC8 1910/4885CYP1A2 604/4885
US-20170166539-A1 COMPOUND CBR1, CBR3, CCR1 HDAC1 459/4885HDAC8 1920/4885CYP1A2 612/4885
US-10370344-B2 2-oxothiazole compounds and method of using same for chronic inflammatory disorders CX3CR1, LTC4S, CBR1 HDAC1 982/4885HDAC8 3448/4885CYP1A2 1156/4885

“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.