SCHEMBL7102620

SCHEMBL7102620

CC(C)(C)OC(=O)OC1C=CCC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ELANE P08246 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
PREP P48147 1/20 0.31

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
SCHEMBL17079962 0.90 NFKB1 (0.30) NFKB1NFKB2RELAELANE
SCHEMBL29919514 0.90 NFKB1 (0.30) NFKB1NFKB2RELAELANE
SCHEMBL17190445 0.89 CHRM2 (0.33) CHRM2CHRM1CHRM3PREP
SCHEMBL18449644 0.88 ATM (0.33)
SCHEMBL17190443 0.88
SCHEMBL17190382 0.87 GAA (0.33)
SCHEMBL17192596 0.86 MAPT (0.33) MAPT
SCHEMBL17190448 0.86
SCHEMBL17190452 0.85
SCHEMBL17190431 0.84 USP2 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240413-B1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-05-13 EP disclosed
US-10450282-B2 Stereospecific process for 3-heterocyclylcycloaliphatic-1,2-diols ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2019-10-22 US disclosed
US-10433555-B2 Picolinamide compounds with fungicidal activity DOW AGROSCIENCES LLC (US) 2019-10-08 US disclosed
EP-3331867-A1 STEREOSPECIFIC PROCESS FOR 3-HETEROCYCLYLCYCLOALIPHATIC-1,2-DIOLS Icahn School of Medicine at Mount Sinai (US) 2018-06-13 EP disclosed
US-20180000085-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-01-04 US disclosed
EP-3240412-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2017-11-08 EP disclosed
EP-3240413-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY Dow Agrosciences LLC (US) 2017-11-08 EP disclosed
WO-2017024229-A1 STEREOSPECIFIC PROCESS FOR 3-HETEROCYCLYLCYCLOALIPHATIC-1,2-DIOLS ICAHN SCHOOL OF MEDECINE AT MOUNT SINAI (US) 2017-02-09 WO disclosed
EP-2847185-B1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-11-16 EP disclosed
US-9439422-B2 Use of macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2016-09-13 US disclosed
US-20150094340-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2015-04-02 US disclosed
EP-2847185-A2 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES Dow AgroSciences LLC (US) 2015-03-18 EP disclosed
US-20140275171-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC 2014-09-18 US disclosed
US-8785479-B2 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES, LLC. (US) 2014-07-22 US disclosed
WO-2013169662-A2 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2013-11-14 WO disclosed
US-20130296375-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2013-11-07 US disclosed
EP-0977742-B1 THE PREPARATION OF ENANTIOMERICALLY ENRICHED OXAZOLONES AND ALPHA, ALPHA-DISUBSTITUTED AMINO ACIDS UNIV LELAND STANFORD JUNIOR (US) 2003-09-10 EP disclosed
US-6130337-A ALKYLATING AN ALLYLIC ELECTROPHILE WITH A 5-OXAZOLONE IN PRESENCE OF A BASE BOARD OF TRUSTEES OF LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-10-10 US disclosed
EP-0977742-A1 THE PREPARATION OF ENANTIOMERICALLY ENRICHED OXAZOLONES AND ALPHA, ALPHA-DISUBSTITUTED AMINO ACIDS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-02-09 EP disclosed
WO-1998046578-A1 THE PREPARATION OF ENANTIOMERICALLY ENRICHED OXAZOLONES AND α,α-DISUBSTITUTED AMINO ACIDS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1998-10-22 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 (6 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-20140275171-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES FKBP14, FKBP2, CYP51A1 MAPT 1429/4885NFKB1 4587/4885NFKB2 4726/4885
US-10433555-B2 Picolinamide compounds with fungicidal activity PFAS, CASP2, CYP1A2 MAPT 1306/4885NFKB1 4243/4885NFKB2 4204/4885
US-20130296375-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES FKBP14, FKBP2, CYP51A1 MAPT 1429/4885NFKB1 4587/4885NFKB2 4726/4885
US-10450282-B2 Stereospecific process for 3-heterocyclylcycloaliphatic-1,2-diols DDT, ODC1, CBR1 MAPT 4855/4885NFKB1 3716/4885NFKB2 3309/4885
US-20150094340-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES FKBP14, CYP4F12, CYP1A2 MAPT 1945/4885NFKB1 4649/4885NFKB2 4769/4885
US-20180000085-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY PFAS, CYP1A2, CYP51A1 MAPT 1987/4885NFKB1 4387/4885NFKB2 4484/4885

“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.