SCHEMBL13058549

SCHEMBL13058549

Cc1sc(-c2ccc(OC(F)F)cc2Cl)nc1C1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CC[C@@H]2O1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 6/20 0.34
▸ PDE4B Q07343 1/20 0.31
▸ BACE1 P56817 4/20 0.30
▸ DPP4 P27487 1/20 0.30
▸ CDC7 O00311 1/20 0.30
▸ CCNT1 O60563 1/20 0.30
▸ CSNK2A2 P19784 1/20 0.30
▸ CCNE1 P24864 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CSNK1A1 P48729 1/20 0.30
▸ CSNK1D P48730 1/20 0.30
▸ CDK9 P50750 1/20 0.30
▸ CSNK2B P67870 1/20 0.30
▸ CSNK2A1 P68400 1/20 0.30
▸ DBF4 Q9UBU7 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
SCHEMBL13058554 0.90 PPARG (0.33) CRHR1PDE4BBACE1
SCHEMBL10238093 0.86 CRHR1 (0.35) CRHR1DPP4
SCHEMBL13058527 0.84 RAB9A (0.36) BACE1
SCHEMBL13041534 0.80 CRHR1 (0.35) CRHR1BACE1DPP4
SCHEMBL13078056 0.77 CRHR1 (0.33) CRHR1
SCHEMBL13058571 0.75 CRHR1 (0.31) CRHR1
SCHEMBL13058498 0.75 ALDH1A1 (0.39) PDE4B
SCHEMBL10238109 0.75 P2RX7 (0.34) CRHR1PDE4B
SCHEMBL13058513 0.75 MAPT (0.31) BACE1
SCHEMBL13058522 0.74 POLB (0.31) —

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-2188294-B1 TRICYCLIC BRIDGED CYCLOPENTANEDIONE DERIVATIVES AS HERBICIDES SYNGENTA LTD (GB) 2015-03-18 — — EP disclosed
US-8530667-B2 Herbicides SYNGENTA LIMITED (GB) 2013-09-10 — — US disclosed
US-8530667-B2 Herbicides SYNGENTA LIMITED (GB) 2013-09-10 — — US disclosed
US-20100298140-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 — — US disclosed
US-20100298140-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 — — US disclosed
WO-2009030450-A2 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-03-12 — — 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-20100298140-A1 NOVEL HERBICIDES DDT, CYP1B1, CYP1A1 CRHR1 2376/4885PDE4B 1195/4885BACE1 1913/4885

“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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