SCHEMBL3363362

SCHEMBL3363362

CSc1ccccc1/C=C/C(=O)N(C)O

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.73
BACE1 P56817 1/20 0.52
ABCB1 P08183 2/20 0.49
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39

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
SCHEMBL3363365 1.00 ALOX5 (0.73) ALOX5BACE1ABCB1PTGS1PTGS2
SCHEMBL9791239 0.83 ALOX5 (0.52) ALOX5BACE1ABCB1PTGS1PTGS2
SCHEMBL9791238 0.83 ALOX5 (0.52) ALOX5BACE1ABCB1PTGS1PTGS2
SCHEMBL9791012 0.80 NPY2R (0.51) ALOX5PTGS1PTGS2
SCHEMBL9791006 0.80 NPY2R (0.51) ALOX5PTGS1PTGS2
SCHEMBL9791105 0.80 ALOX5 (0.49) ALOX5BACE1PTGS1PTGS2ITGB2
SCHEMBL11793495 0.80 ALOX5 (0.62) ALOX5BACE1ABCB1ITGB2ICAM1
SCHEMBL9791169 0.79 ALOX5 (0.48) ALOX5PTGS1PTGS2
SCHEMBL9791045 0.79 ALOX5 (0.48) ALOX5PTGS2
SCHEMBL9791218 0.79 ALOX5 (0.48) ALOX5BACE1PTGS1PTGS2ITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders MEDA AB (SE) 2016-06-16 US disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20090220583-A1 Method and composition for treating inflammatory disorders MEDA AB (SE) 2009-09-03 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
US-20080081835-A1 Use of Ltb4 Inhibitors for the Treatment of B-Cell Leukemias and Lymphomas BIOLIPOX AB (SE) 2008-04-03 US disclosed
US-20080081835-A1 Use of Ltb4 Inhibitors for the Treatment of B-Cell Leukemias and Lymphomas BIOLIPOX AB (SE) 2008-04-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO disclosed
US-5028629-A 2-(Substituted)-N-Hydroxy-N-Alkylcinnamamides ELI LILLY AND COMPANY (US) 1991-07-02 US 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 (5 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 ALOX5 3876/4885BACE1 337/4885ABCB1 713/4885
US-20090220583-A1 Method and composition for treating inflammatory disorders LIPA, HRH2, HRH1 ALOX5 25/4885BACE1 3794/4885ABCB1 238/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 ALOX5 2969/4885BACE1 1542/4885ABCB1 1291/4885
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders LIPA, HRH2, HRH1 ALOX5 25/4885BACE1 3794/4885ABCB1 238/4885
US-20080081835-A1 Use of Ltb4 Inhibitors for the Treatment of B-Cell Leukemias and Lymphomas LTB4R, LTA4H, LTA ALOX5 10/4885BACE1 3842/4885ABCB1 1164/4885

“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.