SCHEMBL10238052

SCHEMBL10238052

COc1cc(F)c(-c2nc(C3C(=O)[C@@H]4CC[C@@H](C4)C3=O)c(C)s2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ILK Q13418 2/20 0.37
▸ FPR2 P25090 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CHRM4 P08173 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30
▸ P2RX7 Q99572 1/20 0.30
▸ CTSA P10619 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
SCHEMBL10238130 0.86 ILK (0.35) ILKFPR2JAK1JAK3
SCHEMBL10238068 0.84 PIK3CA (0.41) PIK3CACHRM4HCRTR1HCRTR2
SCHEMBL10238057 0.81 DPP4 (0.39) —
SCHEMBL10237926 0.79 GRM2 (0.39) FPR2
SCHEMBL10237972 0.79 MAPT (0.33) —
SCHEMBL10238075 0.77 KDM1A (0.39) HCRTR1HCRTR2
SCHEMBL10238109 0.77 P2RX7 (0.34) FPR2HCRTR1HCRTR2P2RX7
SCHEMBL10238024 0.74 ALOX5 (0.41) —
SCHEMBL10238020 0.73 PTGS2 (0.41) —
SCHEMBL16215977 0.72 CYP11B1 (0.34) —

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 5 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

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 ILK 4863/4885FPR2 4036/4885PIK3CA 2606/4885

“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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