SCHEMBL15230574

SCHEMBL15230574

COC(=O)C1CN(c2nc(C3=NOC(c4c(F)cccc4F)C3)cs2)CCN1C(=O)Cn1nc(C(F)F)cc1C(F)F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 15/20 0.40
CXCR3 P49682 1/20 0.32
GUCY1B2 O75343 2/20 0.32
GUCY1A2 P33402 2/20 0.32
GUCY1A1 Q02108 2/20 0.32
GUCY1B1 Q02153 2/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
MMP9 P14780 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL16412321 0.88 FAAH (0.39) FAAHCXCR3
SCHEMBL15230545 0.88 FAAH (0.39) FAAHALDH1A1
SCHEMBL15230849 0.86 FAAH (0.41) FAAHCXCR3
SCHEMBL15230607 0.85 FAAH (0.41) FAAH
SCHEMBL15230625 0.82 FAAH (0.46) FAAH
SCHEMBL15230099 0.81 FAAH (0.40) FAAH
SCHEMBL15230718 0.80 FAAH (0.40) FAAH
SCHEMBL15231469 0.80 FAAH (0.42) FAAHCXCR3
SCHEMBL15230442 0.79 FAAH (0.38) FAAH
SCHEMBL15231666 0.77 GAA (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160007606-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2016-01-14 US disclosed
EP-2820012-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES Syngenta Participations AG (CH) 2015-01-07 EP disclosed
WO-2013127784-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2013-09-06 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-20160007606-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES PRF1, CASP1, MPO FAAH 788/4885CXCR3 451/4885GUCY1B2 1617/4885

“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.