SCHEMBL24625985

SCHEMBL24625985

COc1cc2[nH]c(Nc3cc(CNC(=O)C4(C(F)(F)F)CC4)ccc3Cl)nc2cc1C(=O)N[C@H]1CC[C@H](C(F)(F)F)CC1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGES O14684 17/20 0.51
LRRK2 Q5S007 2/20 0.41
PDE5A O76074 1/20 0.39

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
SCHEMBL3101042 0.92 PTGES (0.45) PTGESLRRK2
SCHEMBL3101035 0.92 PTGES (0.45) PTGESLRRK2
SCHEMBL3226029 0.85 PTGES (0.46) PTGESLRRK2
SCHEMBL3226021 0.85 PTGES (0.46) PTGESLRRK2
SCHEMBL3106287 0.84 PTGES (0.47) PTGES
SCHEMBL10091497 0.83 PTGES (0.43) PTGESPDE5A
SCHEMBL10091458 0.83 PTGES (0.45) PTGES
SCHEMBL10091495 0.82 PTGES (0.54) PTGES
SCHEMBL16509616 0.82 PTGES (0.61) PTGESLRRK2
SCHEMBL1973380 0.82 PTGES (0.61) PTGESLRRK2

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-20220218670-A1 METHODS OF TREATING DISEASES CHARACTERISED BY VASOCONSTRICTION GESYNTA PHARMA AB (SE) 2022-07-14 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-20220218670-A1 METHODS OF TREATING DISEASES CHARACTERISED BY VASOCONSTRICTION PTGIS, PTGIR, PTGER1 PTGES 4/4885LRRK2 4398/4885PDE5A 39/4885

“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.