SCHEMBL2599423

SCHEMBL2599423

CON=C(C=Cc1c(F)cccc1F)c1csc(C2CCN(C(=O)Cn3nc(C(F)(F)F)cc3C)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.40
GAA P10253 3/20 0.38
PPARG P37231 1/20 0.36
POLB P06746 3/20 0.34
ALDH1A1 P00352 3/20 0.34
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.32
SPR P35270 1/20 0.32

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
SCHEMBL2599422 1.00 CCR1 (0.40) CCR1GAAPPARGPOLBALDH1A1
SCHEMBL2599432 0.93 CCR1 (0.38) CCR1GAAPPARGPOLBALDH1A1
SCHEMBL2599430 0.93 CCR1 (0.38) CCR1GAAPPARGPOLBALDH1A1
SCHEMBL2599425 0.92 GAA (0.40) CCR1GAAPPARGPOLBALDH1A1
SCHEMBL2599426 0.92 GAA (0.40) CCR1GAAPPARGPOLBALDH1A1
SCHEMBL2591405 0.89 GAA (0.42) CCR1GAAPPARGPOLBALDH1A1
SCHEMBL2598594 0.89 GAA (0.42) CCR1GAAPPARGPOLBALDH1A1
SCHEMBL2598654 0.86 GAA (0.43) CCR1GAAPOLBALDH1A1TP53
SCHEMBL1765093 0.81 CCR1 (0.42) CCR1GAAPPARGPOLBALDH1A1
SCHEMBL2598613 0.80 GAA (0.42) CCR1GAAPPARGPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722678-B2 Fungicidal oximes and hydrazones E I DU PONT DE NEMOURS AND COMPANY (US) 2014-05-13 US claimed
EP-2571866-A1 FUNGICIDAL OXIMES AND HYDRAZONES E.I. Du Pont De Nemours And Company (US) 2013-03-27 EP claimed
US-20130030002-A1 FUNGICIDAL OXIMES AND HYDRAZONES E I DUPONT DE NEMOURS AND COMPANY (US) 2013-01-31 US claimed
US-8722678-B2 Fungicidal oximes and hydrazones E I DU PONT DE NEMOURS AND COMPANY (US) 2014-05-13 US disclosed
EP-2571866-A1 FUNGICIDAL OXIMES AND HYDRAZONES E.I. Du Pont De Nemours And Company (US) 2013-03-27 EP disclosed
US-20130030002-A1 FUNGICIDAL OXIMES AND HYDRAZONES E I DUPONT DE NEMOURS AND COMPANY (US) 2013-01-31 US disclosed
WO-2011146182-A1 FUNGICIDAL OXIMES AND HYDRAZONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-24 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-20130030002-A1 FUNGICIDAL OXIMES AND HYDRAZONES NOX1, QSOX1, XDH CCR1 1632/4885GAA 329/4885PPARG 2539/4885

“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.