SCHEMBL803438

SCHEMBL803438

CC(C)(C)OC(=O)NC1CCc2cc(C(=O)O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
SRD5A1 P18405 1/20 0.41
SRD5A2 P31213 1/20 0.41
BDKRB1 P46663 1/20 0.41
RORC P51449 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL21178500 1.00 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL8225460 1.00 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL30809669 1.00 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL14902975 0.90 CA12 (0.45) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL784858 0.90 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL484634 0.90 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL10165183 0.90 CA12 (0.43) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL803935 0.89 CHRNB2 (0.48) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL8253905 0.89 CA12 (0.44) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL21178383 0.86 CA12 (0.40) PDE4APDE4BPDE4CPDE4DCA12

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
EP-3013808-B1 ISOTHIAZOLINE COMPOUNDS SUBSTITUTED WITH A CARBOBICYCLIC GROUP BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2020-04-15 EP disclosed
EP-3013808-A1 ISOTHIAZOLINE COMPOUNDS SUBSTITUTED WITH A CARBOBICYCLIC GROUP Merial, Inc. (US) 2016-05-04 EP disclosed
CN-104955328-A Methods of controlling insects SYNGENTA PARTICIPATIONS AG 2015-09-30 CN disclosed
US-20150208658-A1 METHODS OF SOIL PEST CONTROL SYNGENTA PARTICIPATIONS AG (CH) 2015-07-30 US disclosed
US-20150208658-A1 METHODS OF SOIL PEST CONTROL SYNGENTA PARTICIPATIONS AG (CH) 2015-07-30 US disclosed
US-20150208658-A1 METHODS OF SOIL PEST CONTROL SYNGENTA PARTICIPATIONS AG (CH) 2015-07-30 US disclosed
US-20150189884-A1 METHODS OF CONTROLLING INSECTS SYNGENTA PARTICIPATIONS AG (CH) 2015-07-09 US disclosed
US-20150189884-A1 METHODS OF CONTROLLING INSECTS SYNGENTA PARTICIPATIONS AG (CH) 2015-07-09 US disclosed
US-20150189884-A1 METHODS OF CONTROLLING INSECTS SYNGENTA PARTICIPATIONS AG (CH) 2015-07-09 US disclosed
EP-2887802-A2 METHODS OF SOIL PEST CONTROL Syngenta Participations AG (CH) 2015-07-01 EP disclosed
WO-2014029707-A1 METHODS OF CONTROLLING INSECTS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
WO-2014029707-A1 METHODS OF CONTROLLING INSECTS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
WO-2014029706-A2 METHODS OF CONTROLLING INSECTS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
WO-2014029710-A2 METHODS OF SOIL PEST CONTROL SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
WO-2014029708-A1 METHODS OF CONTROLLING INSECTS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
WO-2014029708-A1 METHODS OF CONTROLLING INSECTS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-27 WO disclosed
WO-2014019957-A2 METHODS OF PEST CONTROL IN SOYBEAN SYNGENTA PARTICIPATIONS AG (CH) 2014-02-06 WO disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 (3 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-20150189884-A1 METHODS OF CONTROLLING INSECTS CBR3, C5, CNPY3 PDE4A 2719/4885PDE4B 2475/4885PDE4C 1898/4885
US-20150208658-A1 METHODS OF SOIL PEST CONTROL C1S, CBR3, CNPY3 PDE4A 3476/4885PDE4B 3558/4885PDE4C 2853/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 PDE4A 944/4885PDE4B 939/4885PDE4C 997/4885

“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.