SCHEMBL2762868

SCHEMBL2762868

CCc1sc(-c2ccc(Cl)cc2)nc1C1=C(OC(=O)C(C)(C)C)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 7/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RAB9A P51151 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 3/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.34
▸ GLA P06280 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ ALOX5 P09917 1/20 0.33

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
SCHEMBL13077939 0.86 PTGDR2 (0.39) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL13041557 0.86 PTGDR2 (0.40) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL13041570 0.86 PTGDR2 (0.43) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL13041575 0.86 PTGDR2 (0.43) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL13041578 0.85 PTGDR2 (0.45) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL13041571 0.83 PTGDR2 (0.37) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL13041580 0.81 PTGDR2 (0.42) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL13986200 0.79 — —
SCHEMBL3019695 0.76 ELANE (0.34) RAB9AL3MBTL1NPC1TDP1
SCHEMBL609497 0.74 PTGDR2 (0.39) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8956999-B2 Herbicides SYNGENTA LIMITED (GB) 2015-02-17 — — US disclosed
US-8956999-B2 Herbicides SYNGENTA LIMITED (GB) 2015-02-17 — — US disclosed
US-8956999-B2 Herbicides SYNGENTA LIMITED (GB) 2015-02-17 — — US disclosed
EP-2173727-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2013-11-06 — — EP disclosed
EP-2173727-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2013-11-06 — — EP disclosed
US-20100279868-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 — — US disclosed
US-20100279868-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 — — US disclosed
US-20100279868-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 — — US disclosed
EP-2173727-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2010-04-14 — — EP disclosed
WO-2009000533-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2008-12-31 — — 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 (1 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-20100279868-A1 NOVEL HERBICIDES DDT, HPD, HSD17B1 PTGDR2 865/4885KDM4E 2452/4885ALDH1A1 36/4885

“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.

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