SCHEMBL15230947

SCHEMBL15230947

COC(=O)C1CN(C(=O)Cn2nc(C(F)(F)F)cc2C)CCC1c1nc(C(=O)OCc2c(F)cccc2Cl)cs1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.40
PPARG P37231 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 4/20 0.36
TRPV1 Q8NER1 1/20 0.34
TPH1 P17752 2/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL15231151 0.88 CCR1 (0.38) CCR1PPARGKMT2AMEN1SMN1; SMN2
SCHEMBL1765165 0.88 CCR1 (0.44) CCR1PPARGKMT2AMEN1SMN1; SMN2
SCHEMBL15230561 0.85 PPARG (0.37) PPARGKMT2AMEN1SMN1; SMN2GAA
SCHEMBL15231742 0.85 CCR1 (0.43) CCR1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL15230620 0.84 GAA (0.38) CCR1PPARGKMT2AMEN1SMN1; SMN2
SCHEMBL15230430 0.83 CCR1 (0.40) CCR1PPARGKMT2AMEN1SMN1; SMN2
SCHEMBL1765093 0.83 CCR1 (0.42) CCR1PPARGGAATPH1ALDH1A1
SCHEMBL15230212 0.81 CCR1 (0.41) CCR1KMT2AMEN1GAATRPV1
SCHEMBL15230828 0.80 GAA (0.38) CCR1PPARGKMT2AMEN1SMN1; SMN2
SCHEMBL15230687 0.79 CCR1 (0.40) CCR1KMT2AMEN1SMN1; SMN2GAA

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 CCR1 110/4885PPARG 355/4885KMT2A 4519/4885

“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.