SCHEMBL15230828

SCHEMBL15230828

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)OCc3c(F)cccc3Cl)cs2)CC1[S+](C)[O-]

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
TPH1 P17752 4/20 0.37
PPARG P37231 1/20 0.36
CCR1 P32246 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL15230620 0.88 GAA (0.38) GAATPH1PPARGCCR1MEN1
SCHEMBL1765165 0.87 CCR1 (0.44) GAATPH1PPARGCCR1MEN1
SCHEMBL15231208 0.86 PPARG (0.37) GAATPH1PPARGMEN1KMT2A
SCHEMBL15230584 0.86 CXCR3 (0.39) GAATPH1CCR1MEN1KMT2A
SCHEMBL15231151 0.85 CCR1 (0.38) GAATPH1PPARGCCR1MEN1
SCHEMBL15230687 0.82 CCR1 (0.40) GAATPH1CCR1MEN1KMT2A
SCHEMBL1765093 0.82 CCR1 (0.42) GAATPH1PPARGCCR1ALDH1A1
SCHEMBL15230430 0.81 CCR1 (0.40) GAATPH1PPARGCCR1MEN1
SCHEMBL15230947 0.80 CCR1 (0.40) GAATPH1PPARGCCR1MEN1
SCHEMBL15230771 0.78 FAAH (0.40) GAA

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-20150031541-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2015-01-29 US disclosed
EP-2820015-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES Syngenta Participations AG (CH) 2015-01-07 EP disclosed
WO-2013127808-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-20150031541-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES PRF1, CASP1, MPO GAA 2269/4885TPH1 411/4885PPARG 355/4885

“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.