SCHEMBL4018025

SCHEMBL4018025

COC(=O)c1cc(F)cc2c1-c1c(C(=O)OC)cc(F)cc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
PDK2 Q15119 4/20 0.43
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
PDK4 Q16654 1/20 0.40
KDM4E B2RXH2 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL21621554 0.82 SLC6A4 (0.45) SLC6A4SLC6A3PDK2CA12CA1
SCHEMBL4023234 0.81 SOS1 (0.45) SLC6A4SLC6A3PDK2CA12CA1
SCHEMBL4014982 0.81 KDM4E (0.49) SLC6A4SLC6A3CA12CA1CA2
SCHEMBL13916742 0.78 SLC6A4 (0.38) SLC6A4SLC6A3PDK2CA12CA1
SCHEMBL34472116 0.78 SOS1 (0.53) SLC6A4SLC6A3PDK2CA12CA1
SCHEMBL1997531 0.76 CES2 (0.61) SLC6A4SLC6A3PDK2CA12CA1
SCHEMBL4018029 0.76 SLC6A4 (0.42) SLC6A4SLC6A3PDK2CA12CA1
SCHEMBL4022732 0.75 PDGFRB (0.46) KDM4EALDH1A1MAPT
SCHEMBL25045978 0.74 GAA (0.52) SLC6A4SLC6A3PDK2CA12CA1
SCHEMBL1422048 0.74 SLC6A4 (0.41) SLC6A4SLC6A3PDK2CA12CA1

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
EP-2061755-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP disclosed
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 US disclosed
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 US disclosed
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 US disclosed
WO-2008109840-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-12 WO disclosed
WO-2008109840-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-12 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-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS TFRC, SLC40A1, FECH SLC6A4 365/4885SLC6A3 187/4885PDK2 2112/4885

“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.