SCHEMBL19797952

SCHEMBL19797952

CC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDGFRB P09619 5/20 0.40
KDR P35968 5/20 0.40
DGAT1 O75907 1/20 0.39
FFAR1 O14842 1/20 0.35
HIF1A Q16665 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
ALPL P05186 1/20 0.33
LIPG Q9Y5X9 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
P4HB P07237 1/20 0.33
LPL P06858 1/20 0.33
ROCK2 O75116 1/20 0.32
CXCR2 P25025 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
SCHEMBL3798489 0.88 PDGFRB (0.43) GSK3AGSK3BPDGFRBKDRDGAT1
SCHEMBL30963226 0.84 DGAT1 (0.44) GSK3AGSK3BPDGFRBKDRDGAT1
SCHEMBL17464375 0.84 DGAT1 (0.44) GSK3AGSK3BPDGFRBKDRDGAT1
SCHEMBL29604376 0.82 GSK3A (0.42) GSK3AGSK3BPDGFRBKDRDGAT1
SCHEMBL21198942 0.82 GSK3A (0.42) GSK3AGSK3BPDGFRBKDRDGAT1
SCHEMBL19100726 0.81 PDGFRB (0.43) GSK3AGSK3BSMN1; SMN2PDGFRBKDR
SCHEMBL16077123 0.81 DGAT1 (0.40) GSK3AGSK3BPDGFRBKDRDGAT1
SCHEMBL20766929 0.79 CXCR2 (0.52) SMN1; SMN2PDGFRBKDRLIPGCA1
SCHEMBL17419204 0.78 GSK3A (0.39) GSK3AGSK3BPDGFRBKDRDGAT1
SCHEMBL30551407 0.77 LPL (0.38) GSK3AGSK3BPDGFRBKDRDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180022723-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2018-01-25 US 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-20180022723-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF HEPATITIS C HAVCR2, HCCS, SLC10A1 GSK3A 1668/4885GSK3B 1395/4885SMN1; SMN2 4111/4885

“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.