Sugi Predict

Sugi Predict / Compounds / SCHEMBL191629

SCHEMBL191629

SCHEMBL191629

CCCc1c[c]c(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 2/20 0.39
▸ LIPG Q9Y5X9 2/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ CA2 P00918 1/20 0.36
▸ MGLL Q99685 1/20 0.34
▸ PLK1 P53350 1/20 0.34
▸ THRB P10828 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ POLB P06746 2/20 0.31
▸ CTDSP1 Q9GZU7 2/20 0.31
▸ NISCH Q9Y2I1 1/20 0.31
▸ HTR1D P28221 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SKP2 Q13309 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
SCHEMBL193524 0.87 SKP2 (0.44) LPLLIPGCA2PLK1THRB
SCHEMBL192374 0.84 PTGS2 (0.50) LPLLIPGMGLLKDM4EALDH1A1
SCHEMBL191797 0.81 — —
SCHEMBL1404345 0.77 LPL (0.39) LPLLIPGCNR1CNR2CA2
SCHEMBL596190 0.76 — —
SCHEMBL2588081 0.76 LPL (0.38) LPLLIPGCNR1CNR2CA2
SCHEMBL2585214 0.76 LPL (0.38) LPLLIPGCNR1CNR2CA2
SCHEMBL3592716 0.76 CNR1 (0.45) LPLLIPGCNR1CNR2CA2
SCHEMBL193200 0.76 LPL (0.38) LPLLIPGCNR1CNR2CA2
SCHEMBL597407 0.74 — —

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 32 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-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES CORTEVA AGRISCIENCE LLC 2015-10-15 — — US disclosed
US-20150291556-A1 FUNGICIDAL AZOCYCLIC AMIDES CORTEVA AGRISCIENCE LLC 2015-10-15 — — US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
US-9090604-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2015-07-28 — — US disclosed
EP-2121660-B1 FUNGICIDAL AMIDES DU PONT (US) 2014-12-31 — — EP disclosed
US-20140081027-A1 FUNGICIDAL AZOCYCLIC AMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-03-20 — — 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-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 — — WO disclosed
WO-2008091580-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 — — WO disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 — — EP disclosed
WO-2008013622-A2 FUNGICIDAL AZOCYCLIC AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-01-31 — — WO disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 — — WO disclosed
EP-1430016-A4 3,4,5-TRIMETHOXY PHENYL-BASED ESTER COMPOUND AND PREPARATION METHOD THEREOF AND WHITENING COSMETIC COMPOSITION CONTAINING THE SAME AMOREPACIFIC CORP (KR) 2006-01-11 — — EP disclosed
EP-1430016-A1 3,4,5-TRIMETHOXY PHENYL-BASED ESTER COMPOUND AND PREPARATION METHOD THEREOF AND WHITENING COSMETIC COMPOSITION CONTAINING THE SAME Amorepacific Corporation (KR) 2004-06-23 — — EP disclosed
WO-2003027055-A1 3,4,5-TRIMETHOXY PHENYL-BASED ESTER COMPOUND AND PREPARATION METHOD THEREOF AND WHITENING COSMETIC COMPOSITION CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2003-04-03 — — 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 (4 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 LPL 4816/4885LIPG 4125/4885CNR1 851/4885
US-20140081027-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 LPL 4816/4885LIPG 4125/4885CNR1 851/4885
US-20090156592-A1 Fungicidal Azocyclic Amides ARG1, NAT1, CHRM1 LPL 4816/4885LIPG 4125/4885CNR1 851/4885
US-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 LPL 4816/4885LIPG 4125/4885CNR1 851/4885

“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.