SCHEMBL3497253

SCHEMBL3497253

CC(C)(C)OC(=O)Nc1sc(-c2cccnc2)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
KDM4E B2RXH2 4/20 0.55
NPC1 O15118 3/20 0.55
NPSR1 Q6W5P4 3/20 0.55
MAPT P10636 2/20 0.48
PTPN5 P54829 1/20 0.48
JAK2 O60674 2/20 0.47
JAK3 P52333 2/20 0.47
POLB P06746 1/20 0.46
NAMPT P43490 1/20 0.46
ABCC1 P33527 1/20 0.45
ERO1A Q96HE7 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
CHEK1 O14757 2/20 0.43
CDK2AP1 O14519 1/20 0.43
KCNK2 O95069 1/20 0.42
LMNA P02545 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
SCHEMBL3498603 0.90 KDM4E (0.54) RAB9AKDM4ENPC1NPSR1MAPT
SCHEMBL3494989 0.88 NPC1 (0.70) RAB9AKDM4ENPC1NPSR1MAPT
SCHEMBL3496942 0.87 NPC1 (0.55) RAB9AKDM4ENPC1NPSR1MAPT
SCHEMBL13117425 0.84 NAMPT (0.44) RAB9AKDM4ENPC1NPSR1JAK2
SCHEMBL13139517 0.82 NAMPT (0.44) RAB9AJAK2JAK3POLBNAMPT
SCHEMBL5556395 0.81 JAK2 (0.63) RAB9AKDM4ENPC1NPSR1MAPT
SCHEMBL3497917 0.80 KDM4E (0.49) RAB9AKDM4ENPC1NPSR1MAPT
SCHEMBL3496455 0.79 ALDH1A1 (0.58) RAB9AKDM4ENPC1NPSR1MAPT
SCHEMBL6522810 0.79 NAMPT (0.45) RAB9AKDM4EMAPTNAMPTALDH1A1
SCHEMBL3498965 0.77 ALDH1A1 (0.47) RAB9AKDM4ENPC1NPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP 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-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC RAB9A 1626/4885KDM4E 1730/4885NPC1 590/4885

“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.