SCHEMBL4445158

SCHEMBL4445158

COc1ccc(Sc2ccc(F)cc2C(=O)O)c(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
AKR1C3 P42330 5/20 0.46
AKR1C2 P52895 5/20 0.46
KDM4E B2RXH2 4/20 0.46
POLB P06746 3/20 0.46
NPC1 O15118 3/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
KEAP1 Q14145 1/20 0.44
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
FLT3 P36888 1/20 0.42

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
SCHEMBL4437772 0.85 KEAP1 (0.57) KDM4EPOLBMAPTKMT2AMEN1
SCHEMBL4440732 0.83 KDM4E (0.57) SMN1; SMN2AKR1C3AKR1C2KDM4EPOLB
SCHEMBL823582 0.80 SMN1; SMN2 (0.57) SMN1; SMN2AKR1C3AKR1C2KDM4EPOLB
SCHEMBL11817237 0.79 FFAR1 (0.47) SMN1; SMN2POLBNPC1MAPTRAB9A
SCHEMBL4438684 0.79 KEAP1 (0.50) KDM4EPOLBRAB9AKMT2AMEN1
SCHEMBL11777736 0.79 SMN1; SMN2 (0.56) SMN1; SMN2AKR1C3AKR1C2KDM4EPOLB
SCHEMBL22720148 0.79 MEN1 (0.62) SMN1; SMN2AKR1C3AKR1C2POLBMAPT
SCHEMBL3187710 0.78 SLC6A2 (0.56) SMN1; SMN2AKR1C3AKR1C2KDM4EPOLB
SCHEMBL1041692 0.78 AKR1C3 (0.51) SMN1; SMN2AKR1C3AKR1C2KDM4EPOLB
SCHEMBL11876679 0.78 SMN1; SMN2 (0.48) SMN1; SMN2AKR1C3AKR1C2KDM4EPOLB

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
EP-2061754-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP disclosed
WO-2008115999-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 WO disclosed
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 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-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS FECH, SLC10A1, SLC40A1 SMN1; SMN2 1564/4885AKR1C3 25/4885AKR1C2 96/4885

“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.