SCHEMBL10237956

SCHEMBL10237956

CCc1sc(-c2ccc(Cl)c(F)c2)nc1C1C(=O)[C@@H]2CC[C@@H](C2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 4/20 0.36
▸ CYP11B2 P19099 4/20 0.36
▸ PTGS1 P23219 2/20 0.33
▸ PTGS2 P35354 2/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ DCK P27707 2/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ TRPV1 Q8NER1 2/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ SIRT1 Q96EB6 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ PROKR1 Q8TCW9 1/20 0.30

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
SCHEMBL10237940 0.91 PDE3B (0.34) ABL1
SCHEMBL10237945 0.90 SLC6A3 (0.37) CYP11B1CYP11B2CYP1A2
SCHEMBL10237941 0.86 KDM4E (0.35) CYP11B1CYP11B2
SCHEMBL10237927 0.86 CYP11B1 (0.34) CYP11B1CYP11B2PTGS1PTGS2KDM1A
SCHEMBL16215977 0.86 CYP11B1 (0.34) CYP11B1CYP11B2PTGS1PTGS2KDM1A
SCHEMBL10238150 0.86 MEN1 (0.38) PTGS1PTGS2KDM1ADCK
SCHEMBL10238152 0.85 KDM1A (0.38) PTGS1PTGS2KDM1ADCK
SCHEMBL10238143 0.85 EIF4E (0.34) PDE4A
SCHEMBL16215992 0.85 HRH3 (0.41) CYP1A2
SCHEMBL10238117 0.85 DCK (0.42) PTGS1PTGS2DCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176222-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-11-05 — — EP disclosed
US-8541594-B2 — — 2013-09-24 — — US disclosed
US-8541594-B2 — — 2013-09-24 — — US disclosed
US-20120040826-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-02-16 — — US disclosed
US-20120040826-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-02-16 — — US disclosed
WO-2009015877-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-02-05 — — 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-20120040826-A1 NOVEL HERBICIDES DDT, HDHD5, DDC CYP11B1 1537/4885CYP11B2 1206/4885PTGS1 3981/4885

“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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