SCHEMBL1160545

SCHEMBL1160545

COC1=C(c2nc(-c3ccc(Cl)cc3)sc2C)C(=O)C(C(O)c2ccc(F)cn2)C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ HRH3 Q9Y5N1 6/20 0.34
▸ POLB P06746 1/20 0.34
▸ PTGS2 P35354 1/20 0.33
▸ TP53 P04637 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ ALOX5 P09917 2/20 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
SCHEMBL1160635 0.69 APEX1 (0.44) APEX1PTGDR2HRH3POLBTP53
SCHEMBL1160757 0.68 PTGDR2 (0.38) PTGDR2HRH3KDM4EALDH1A1PTPN11
SCHEMBL9106301 0.63 MDM4 (0.34) ALDH1A1
SCHEMBL1160707 0.61 APEX1 (0.35) APEX1PTGDR2HRH3POLBTP53
SCHEMBL1160501 0.60 HRH3 (0.38) APEX1HRH3POLBPTGS2TP53
SCHEMBL11963699 0.60 APEX1 (0.34) APEX1HRH3POLBPTGS2TP53
SCHEMBL1160624 0.60 APEX1 (0.34) APEX1HRH3POLBPTGS2TP53
SCHEMBL13710221 0.60 APEX1 (0.44) APEX1PTGDR2POLBTP53LMNA
SCHEMBL13761081 0.60 MAPT (0.38) APEX1PTGDR2HRH3POLBKDM4E
SCHEMBL13710236 0.59 WRN (0.47) APEX1POLBTP53LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459547-B1 HERBICIDALLY ACTIVE HETEROARYL-SUBSTITUTED CYCLIC DIONES OR DERIVATIVES THEREOF SYNGENTA LTD (GB) 2016-04-20 — — EP disclosed
EP-2459547-B1 HERBICIDALLY ACTIVE HETEROARYL-SUBSTITUTED CYCLIC DIONES OR DERIVATIVES THEREOF SYNGENTA LTD (GB) 2016-04-20 — — EP disclosed
US-9051300-B2 Herbicides SYNGENTA LIMITED (GB) 2015-06-09 — — US disclosed
US-9051300-B2 Herbicides SYNGENTA LIMITED (GB) 2015-06-09 — — US disclosed
US-9051300-B2 Herbicides SYNGENTA LIMITED (GB) 2015-06-09 — — US disclosed
US-20120202691-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-08-09 — — US disclosed
US-20120202691-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-08-09 — — US disclosed
US-20120202691-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-08-09 — — US disclosed
EP-2459547-A1 HERBICIDALLY ACTIVE HETEROARYL-SUBSTITUTED CYCLIC DIONES OR DERIVATIVES THEREOF Syngenta Limited (GB) 2012-06-06 — — EP disclosed
WO-2011012862-A1 HERBICIDALLY ACTIVE HETEROARYL-SΥBSTITΥTED CYCLIC DIONES OR DERIVATIVES THEREOF SYNGENTA LIMITED (GB) 2011-02-03 — — WO disclosed
WO-2011012862-A1 HERBICIDALLY ACTIVE HETEROARYL-SΥBSTITΥTED CYCLIC DIONES OR DERIVATIVES THEREOF SYNGENTA LIMITED (GB) 2011-02-03 — — 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 (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-20120202691-A1 NOVEL HERBICIDES DDT, HCN1, HDHD5 APEX1 4218/4885PTGDR2 2952/4885HRH3 905/4885

“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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