SCHEMBL2430987

SCHEMBL2430987

C=CCCCCOC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 2/20 0.36
LPAR2 Q9HBW0 1/20 0.36
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 1/20 0.33
FAAH O00519 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 3/20 0.33
ABCC4 O15439 1/20 0.33
ALOX12 P18054 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
USP2 O75604 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL14335532 0.95 ALDH1A1 (0.36) LPAR3LPAR2ALDH1A1CYP3A4TSHR
SCHEMBL1949595 0.85 ALOX12 (0.38) ALDH1A1CYP3A4TSHRALOX12SMN1; SMN2
SCHEMBL13748507 0.85 ALOX12 (0.38) ALDH1A1CYP3A4TSHRALOX12SMN1; SMN2
SCHEMBL1280224 0.84 ALOX12 (0.37) ALDH1A1CYP3A4TSHRALOX12SMN1; SMN2
SCHEMBL21261912 0.81 LPAR2 (0.40) LPAR3LPAR2ALDH1A1CYP3A4TSHR
SCHEMBL11998879 0.81 ALOX12 (0.35) ALOX12
SCHEMBL9927889 0.80 FAAH (0.46) FAAHLMNAMAPTUSP2RECQL
SCHEMBL2037671 0.80 NAAA (0.42) ALDH1A1CYP3A4TSHRLMNASMN1; SMN2
SCHEMBL4696869 0.80 ALDH1A1 (0.41) ALDH1A1TSHRLMNAALOX12SMN1; SMN2
SCHEMBL18755724 0.79 ALOX12 (0.33) ALOX12

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-8754105-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2014-06-17 US disclosed
US-8754105-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2014-06-17 US disclosed
US-8754105-B2 Macrocyclic inhibitors of hepatitis C virus MEDIVIR AB (SE) 2014-06-17 US disclosed
EP-1912996-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN R & D IRELAND (IE) 2012-06-20 EP disclosed
US-20110237621-A1 Macrocyclic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2011-09-29 US disclosed
US-20110237621-A1 Macrocyclic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2011-09-29 US disclosed
US-20110237621-A1 Macrocyclic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2011-09-29 US disclosed
US-20100120855-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. 2010-05-13 US disclosed
US-20100120855-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. 2010-05-13 US disclosed
US-20100120855-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. 2010-05-13 US disclosed
WO-2007014920-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 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 (2 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-20100120855-A1 MACROCYLIC INHIBITORS OF HEPATITIS C VIRUS NR4A1, NR4A3, NR4A2 LPAR3 2551/4885LPAR2 2519/4885ALDH1A1 2026/4885
US-20110237621-A1 Macrocyclic Inhibitors of Hepatitis C Virus NR4A1, NR4A3, NR4A2 LPAR3 2604/4885LPAR2 2685/4885ALDH1A1 1595/4885

“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.