SCHEMBL23005342

SCHEMBL23005342

CCS(=O)(=O)c1cc(C2CC2)cnc1-c1nc2cc(C(F)(F)F)n(OC)c(=O)c2n1C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.31
MCHR1 Q99705 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
SCHEMBL17539304 0.90 BRD4 (0.31) LRRK2MCHR1
SCHEMBL20104518 0.88 DDR1 (0.33) LRRK2
SCHEMBL20104481 0.87 LRRK2 (0.31) LRRK2
SCHEMBL21577860 0.87 DDR1 (0.33) LRRK2
SCHEMBL23005340 0.86 XPO1 (0.32) MCHR1
SCHEMBL31248460 0.86 XPO1 (0.32) MCHR1
SCHEMBL31248462 0.83 DDR1 (0.31) LRRK2
SCHEMBL20104479 0.83 DDR1 (0.31) LRRK2
SCHEMBL31248465 0.83
SCHEMBL20104522 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210053970-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR AND HYDROXYLAMINE SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-25 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-20210053970-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR AND HYDROXYLAMINE SUBSTITUENTS DDT, SHMT1, ACHE LRRK2 558/4885MCHR1 814/4885

“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.