SCHEMBL15466841

SCHEMBL15466841

O=[N+]([O-])/C=C/c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 14/20 0.58
VCP P55072 4/20 0.58
MITF O75030 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HSP90AA1 P07900 1/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
EGFR P00533 2/20 0.50
ABL1 P00519 1/20 0.50
ABL2 P42684 1/20 0.50
KIF11 P52732 1/20 0.47
NPC1 O15118 1/20 0.45
MTOR P42345 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL15466842 1.00 FBP1 (0.58) FBP1VCPMITFALDH1A1HSP90AA1
SCHEMBL4491460 0.81 VCP (0.72) FBP1VCPMITFALDH1A1HSP90AA1
SCHEMBL30592059 0.81 VCP (0.72) FBP1VCPMITFALDH1A1HSP90AA1
SCHEMBL793784 0.81 VCP (0.72) FBP1VCPMITFALDH1A1HSP90AA1
SCHEMBL793177 0.77 VCP (0.61) FBP1VCPMITFALDH1A1HSP90AA1
SCHEMBL807786 0.77 VCP (0.61) FBP1VCPMITFALDH1A1HSP90AA1
SCHEMBL8010045 0.77 EGFR (0.72) FBP1VCPMITFALDH1A1HSP90AA1
SCHEMBL21402590 0.75 KIF11 (0.56) ALDH1A1MAPTKIF11
SCHEMBL794128 0.74 FBP1 (1.00) FBP1VCPALDH1A1MAPTSMN1; SMN2
SCHEMBL794129 0.74 FBP1 (1.00) FBP1VCPALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 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-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 FBP1 2302/4885VCP 3835/4885MITF 3316/4885

“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.