SCHEMBL3217596

SCHEMBL3217596

COC(=O)C(Oc1cc2cc(Br)cnc2cc1F)SC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 7/20 0.34
PDGFRA P16234 7/20 0.34
MALT1 Q9UDY8 1/20 0.32
TACR3 P29371 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ALPL P05186 1/20 0.31
EGFR P00533 1/20 0.30
ERBB2 P04626 1/20 0.30

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
SCHEMBL3222965 0.90 PDGFRB (0.34) PDGFRBPDGFRA
SCHEMBL3227648 0.86 MALT1 (0.41) PDGFRBPDGFRAMALT1TACR3NPC1
SCHEMBL3214779 0.86 AAK1 (0.33) PDGFRBPDGFRANPC1RAB9A
SCHEMBL13495737 0.84 PDGFRB (0.36) PDGFRBPDGFRAMALT1TACR3NPC1
SCHEMBL3234849 0.82 PDGFRB (0.37) PDGFRBPDGFRAMALT1NPC1RAB9A
SCHEMBL3231976 0.80 PDGFRB (0.36) PDGFRBPDGFRAMALT1NPC1RAB9A
SCHEMBL534434 0.80 ALDH1A1 (0.43) PDGFRBPDGFRAMALT1RAB9AALPL
SCHEMBL3227874 0.80 AAK1 (0.31) EGFRERBB2
SCHEMBL3215001 0.76 PDGFRB (0.33) PDGFRBPDGFRAMALT1NPC1RAB9A
SCHEMBL23247348 0.76 PDGFRB (0.40) PDGFRBPDGFRA

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-20100056570-A1 FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-03-04 US disclosed
EP-2068632-A1 FUNGICIDES Syngeta Participations AG (CH) 2009-06-17 EP disclosed
WO-2008028624-A1 FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-03-13 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-20100056570-A1 FUNGICIDES CYP21A2, CYP51A1, CYP4X1 PDGFRB 4516/4885PDGFRA 4427/4885MALT1 935/4885

“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.