SCHEMBL1781945

SCHEMBL1781945

Cc1ccc(-c2nsc(=O)o2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 13/20 0.68
NOTUM Q6P988 1/20 0.49
PSMB11 A5LHX3 1/20 0.47
PSMD11 O00231 1/20 0.47
PSMD12 O00232 1/20 0.47
PSMD14 O00487 1/20 0.47
PSMA7 O14818 1/20 0.47
PSMD3 O43242 1/20 0.47
PSMC3 P17980 1/20 0.47
PSMB1 P20618 1/20 0.47
PSMA1 P25786 1/20 0.47
PSMA2 P25787 1/20 0.47
PSMA3 P25788 1/20 0.47
PSMA4 P25789 1/20 0.47
PSMB9 P28065 1/20 0.47
PSMA5 P28066 1/20 0.47
PSMB4 P28070 1/20 0.47
PSMB6 P28072 1/20 0.47
PSMB5 P28074 1/20 0.47
PSMC2 P35998 1/20 0.47

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
SCHEMBL4113266 0.81 PSMB8 (0.59) PSMB8NOTUMPSMB11PSMD11PSMD12
SCHEMBL459541 0.81 PSMB8 (0.68) PSMB8NOTUMPSMB11PSMD11PSMD12
SCHEMBL9627131 0.81 PSMB8 (0.68) PSMB8PSMB11PSMD11PSMD12PSMD14
SCHEMBL18614390 0.81 PSMB8 (0.68) PSMB8PSMB11PSMD11PSMD12PSMD14
SCHEMBL12614772 0.81 PSMB8 (0.68) PSMB8NOTUMPSMB11PSMD11PSMD12
SCHEMBL14755644 0.81 PSMB8 (1.00) PSMB8NOTUMPSMB11PSMD11PSMD12
SCHEMBL16363828 0.81 PSMB8 (0.68) PSMB8PSMB11PSMD11PSMD12PSMD14
SCHEMBL4103372 0.80 PSMB8 (0.62) PSMB8NOTUMPSMB11PSMD11PSMD12
SCHEMBL1425626 0.80 PSMB8 (0.62) PSMB8NOTUMPSMB11PSMD11PSMD12
SCHEMBL1505637 0.80 PSMB8 (0.62) PSMB8NOTUMPSMB11PSMD11PSMD12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118274-A1 PROTEASOME INHIBITORS AND THEIR USE IN TREATING PATHOGEN INFECTION AND CANCER CORNELL RESEARCH FOUNDATION, INC. (US) 2011-05-19 US claimed
WO-2009026579-A1 PROTEASOME INHIBITORS AND THEIR USE IN TREATING PATHOGEN INFECTION AND CANCER CORNELL RESEARCH FOUNDATION, INC. (US) 2009-02-26 WO claimed
US-9732051-B2 Isothiazoline compounds for combating invertebrate pests BASF SE (DE) 2017-08-15 US disclosed
EP-2738163-B1 AMIDINE COMPOUND OR SALT THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2016-01-20 EP disclosed
EP-2738163-B1 AMIDINE COMPOUND OR SALT THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2016-01-20 EP disclosed
US-9078444-B2 Isothiazoline derivatives as insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2015-07-14 US disclosed
US-9045466-B2 Amidine compound or salt thereof TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-02 US disclosed
US-9045466-B2 Amidine compound or salt thereof TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-02 US disclosed
US-9045466-B2 Amidine compound or salt thereof TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-02 US disclosed
US-20140378415-A1 ISOTHIAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-12-25 US disclosed
US-20140364466-A1 Isothiazoline compounds for combating invertebrate pests BASF SE (DE) 2014-12-11 US disclosed
US-20090131489-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS KUO GEE-HONG 2009-05-21 US disclosed
US-7498351-B2 4-((Phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-03 US disclosed
US-7498351-B2 4-((Phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-03 US disclosed
WO-2009026579-A1 PROTEASOME INHIBITORS AND THEIR USE IN TREATING PATHOGEN INFECTION AND CANCER CORNELL RESEARCH FOUNDATION, INC. (US) 2009-02-26 WO disclosed
EP-1684752-B1 PHENOXYACETIC ACIDS DERIVATIVES USEFUL AS PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) DUAL AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2007-05-16 EP disclosed
EP-1684752-A1 PHENOXYACETIC ACIDS DERIVATIVES USEFUL AS PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) DUAL AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-02 EP disclosed
US-7015329-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N. V. (BE) 2006-03-21 US disclosed
WO-2005041959-A1 PHENOXYACETIC ACIDS DERIVATIVES USEFUL AS PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) DUAL AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-12 WO disclosed
US-20050096362-A1 4-((Phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-05 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-20050096362-A1 4-((Phenoxyalkyl)thio)-phenoxyacetic acids and analogs PPARA, PPARG, PPARD PSMB8 3816/4885NOTUM 1703/4885PSMB11 3423/4885
US-20140378415-A1 ISOTHIAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS CBR3, C1S, HRH2 PSMB8 3063/4885NOTUM 597/4885PSMB11 3325/4885
US-20090131489-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD PSMB8 3816/4885NOTUM 1703/4885PSMB11 3423/4885
US-20110118274-A1 PROTEASOME INHIBITORS AND THEIR USE IN TREATING PATHOGEN INFECTION AND CANCER PSMB1, PSME1, PSMB2 PSMB8 22/4885NOTUM 3210/4885PSMB11 7/4885
US-20140364466-A1 Isothiazoline compounds for combating invertebrate pests PIR, ACHE, INMT PSMB8 1110/4885NOTUM 297/4885PSMB11 899/4885

“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.