SCHEMBL193882

SCHEMBL193882

CCS(=O)(=O)c1c[c]c(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
PSIP1 O75475 2/20 0.43
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 1/20 0.32
RORC P51449 2/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
CA2 P00918 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 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
SCHEMBL11312234 0.84 ALDH1A1 (0.32) ALDH1A1CYP3A4MAPK1NPC1CA2
SCHEMBL1376924 0.81 ALDH1A1 (0.33) ALDH1A1CYP3A4MAPK1NPC1CA2
SCHEMBL1045428 0.79 ENPP2 (0.41) ALDH1A1CYP3A4MAPK1
SCHEMBL27777602 0.78 GAA (0.45) GAAPSIP1ALDH1A1CYP3A4CA2
SCHEMBL17290260 0.78 GAA (0.45) GAAPSIP1ALDH1A1CYP3A4RORC
SCHEMBL1900451 0.76 GAA (0.44) GAAPSIP1ALDH1A1POLBRORC
SCHEMBL17748862 0.76 GAA (0.44) GAAPSIP1ALDH1A1CYP3A4RORC
SCHEMBL1827674 0.75 CA2 (0.52) ALDH1A1CA2CA12CA1CA3
SCHEMBL5503556 0.75 LMNA (0.43) ALDH1A1POLBCYP3A4MAPK1CA2
SCHEMBL6319001 0.74 ALDH1A1 (0.46) ALDH1A1POLBMAPTNPC1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239137-B1 (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION DU PONT (US) 2019-02-13 EP disclosed
US-9920030-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2018-03-20 US disclosed
EP-3239137-A1 (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION E. I. du Pont de Nemours and Company (US) 2017-11-01 EP disclosed
US-9604962-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2017-03-28 US disclosed
US-20150291556-A1 FUNGICIDAL AZOCYCLIC AMIDES CORTEVA AGRISCIENCE LLC 2015-10-15 US disclosed
US-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES CORTEVA AGRISCIENCE LLC 2015-10-15 US disclosed
US-9090604-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2015-07-28 US disclosed
US-20140081027-A1 FUNGICIDAL AZOCYCLIC AMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-03-20 US disclosed
US-8642634-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-02-04 US disclosed
US-8586611-B2 Fungicidal carboxamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-11-19 US disclosed
US-8349870-B2 Fungicidal hetercyclic compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-08 US disclosed
EP-2402332-A2 Fungicidal heterocyclic compounds E.I. Du Pont De Nemours And Company (US) 2012-01-04 EP disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 US disclosed
US-20100292275-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-18 US disclosed
US-20100286147-A1 FUNGICIDAL AMIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2010-11-11 US disclosed
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 US disclosed
US-20100004288-A1 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-01-07 US disclosed
EP-2121660-A2 FUNGICIDAL AMIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP disclosed
US-20090156592-A1 Fungicidal Azocyclic Amides E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2009-06-18 US disclosed
WO-2008091580-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 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 (9 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-20150291556-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 GAA 715/4885PSIP1 4752/4885ALDH1A1 999/4885
US-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 GAA 421/4885PSIP1 1125/4885ALDH1A1 649/4885
US-20100286147-A1 FUNGICIDAL AMIDES NAT1, NOX1, CBR1 GAA 358/4885PSIP1 4653/4885ALDH1A1 595/4885
US-20100292275-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS CYP1B1, CBR1, NOX1 GAA 133/4885PSIP1 4312/4885ALDH1A1 506/4885
US-20140081027-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 GAA 715/4885PSIP1 4752/4885ALDH1A1 999/4885
US-20100240619-A1 FUNGICIDAL MIXTURES CYP1B1, CYP1A1, NOX1 GAA 726/4885PSIP1 4513/4885ALDH1A1 440/4885
US-20090156592-A1 Fungicidal Azocyclic Amides ARG1, NAT1, CHRM1 GAA 715/4885PSIP1 4752/4885ALDH1A1 999/4885
US-20100004288-A1 FUNGICIDAL AMIDES NAT1, NOX1, Q6ZSR9 GAA 90/4885PSIP1 4339/4885ALDH1A1 662/4885
US-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 GAA 715/4885PSIP1 4752/4885ALDH1A1 999/4885

“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.