SCHEMBL3490656

SCHEMBL3490656

CC(=O)OC(C)(C)C(=O)NNC(=O)c1ccc2occ(-c3cc(F)ccc3F)c2c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.34
NPC1 O15118 5/20 0.34
POLB P06746 1/20 0.34
MTNR1A P48039 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
GSK3B P49841 2/20 0.32
LMNA P02545 2/20 0.32
NQO2 P16083 1/20 0.32
PKM P14618 1/20 0.32
RIPK1 Q13546 1/20 0.31
GABRA5 P31644 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3492216 0.78 GSK3B (0.48) RAB9ASMN1; SMN2KDM4EGAANPC1
SCHEMBL3493539 0.78 ALDH1A1 (0.41) RAB9ASMN1; SMN2KDM4EMTNR1AALDH1A1
SCHEMBL3491311 0.70 GSK3B (0.39) NPC1POLBGSK3B
SCHEMBL3493195 0.63 GSK3B (0.51) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL3493171 0.61 GSK3B (0.41) RAB9ASMN1; SMN2KDM4EGAANPC1
SCHEMBL7657622 0.59 LMNA (0.45) RAB9ASMN1; SMN2KDM4ENPC1POLB
SCHEMBL3491360 0.59 MTNR1A (0.38) SMN1; SMN2NPC1POLBMTNR1AALDH1A1
SCHEMBL3491363 0.59 MTNR1A (0.38) SMN1; SMN2NPC1POLBMTNR1AALDH1A1
SCHEMBL3492505 0.58 GSK3B (0.42) RAB9ASMN1; SMN2KDM4ENPC1GSK3B
SCHEMBL3491134 0.58 GSK3B (0.58) RAB9ANPC1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492378-B2 GSK-3β inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
US-20100069381-A1 GSK-3BETAINHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 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-20100069381-A1 GSK-3BETAINHIBITOR GSK3B, GSK3A, GSKIP RAB9A 3231/4885SMN1; SMN2 1036/4885KDM4E 1112/4885

“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.