SCHEMBL3363193

SCHEMBL3363193

CCCCCCCCNC(=O)c1c(O)cc(O)c([N+](=O)[O-])c1O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.47
FFAR1 O14842 1/20 0.43
PLA2G2A P14555 1/20 0.43
PLA2G5 P39877 1/20 0.43
MGLL Q99685 1/20 0.43
GPR84 Q9NQS5 2/20 0.43
CA2 P00918 1/20 0.43
USP2 O75604 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TRPV1 Q8NER1 2/20 0.41

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
SCHEMBL12902000 1.00 NAAA (0.47) NAAAFFAR1PLA2G2APLA2G5MGLL
SCHEMBL29588752 1.00 NAAA (0.47) NAAAFFAR1PLA2G2APLA2G5MGLL
SCHEMBL9617124 0.95 SMN1; SMN2 (0.42) NAAAFFAR1PLA2G2APLA2G5MGLL
SCHEMBL11131834 0.76 NAAA (0.61) NAAAGPR84CA2L3MBTL1TRPV1
SCHEMBL31467551 0.72 EPHX1 (0.64) NAAAL3MBTL1
SCHEMBL8035784 0.72 EPHX1 (0.40) NAAAMGLL
SCHEMBL9172752 0.71 PKM (0.60) NAAAMGLLCA2L3MBTL1
SCHEMBL9734781 0.71 PKM (0.64) NAAAMGLLCA2L3MBTL1
SCHEMBL9169640 0.71 PKM (0.60) NAAAMGLLCA2L3MBTL1
SCHEMBL9733961 0.71 PKM (0.64) NAAAMGLLCA2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A NAAA 1399/4885FFAR1 610/4885PLA2G2A 4436/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 NAAA 1449/4885FFAR1 2764/4885PLA2G2A 2481/4885

“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.