SCHEMBL4996473

SCHEMBL4996473

COC(=O)c1cc(C(C(=O)O)(C(=O)O)C(C)(C)C)c([N+](=O)[O-])c(C(C)(C)C)c1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
SOS1 Q07889 1/20 0.33
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.33
PDGFRB P09619 1/20 0.32
FGFR1 P11362 1/20 0.32
PDGFRA P16234 1/20 0.32
FLT1 P17948 1/20 0.32
FGFR3 P22607 1/20 0.32
KDR P35968 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HPGD P15428 1/20 0.32
VCAM1 P19320 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SIRT6 Q8N6T7 1/20 0.31
HTT P42858 1/20 0.31
COMT P21964 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
SCHEMBL4996644 0.80 CFTR (0.37) SOS1ALDH1A1TSHRHPGDMEN1
SCHEMBL5004221 0.78 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1TSHRTDP1PKM
SCHEMBL3016189 0.70 TDP1 (0.35) SMN1; SMN2ALDH1A1TSHRTDP1HPGD
SCHEMBL7009698 0.70 PDGFRB (0.41) SMN1; SMN2SOS1ALDH1A1PKMPDGFRB
SCHEMBL2437573 0.69 AR (0.35) SMN1; SMN2ALDH1A1TSHRTDP1NPSR1
SCHEMBL3036535 0.67 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1TSHRTDP1PKM
SCHEMBL11512029 0.67 PDGFRB (0.49) SMN1; SMN2ALDH1A1TSHRTDP1PDGFRB
SCHEMBL27816651 0.66 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TSHRTDP1PKM
SCHEMBL28418045 0.65 SOS1 (0.44) SMN1; SMN2SOS1ALDH1A1TDP1PKM
SCHEMBL2522809 0.65 PDGFRB (0.50) SMN1; SMN2ALDH1A1TDP1PDGFRBFGFR1

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-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 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-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE SPTLC1, SPTLC2, CPT1A SMN1; SMN2 1145/4885SOS1 962/4885ALDH1A1 2622/4885

“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.