SCHEMBL29913093

SCHEMBL29913093

CC(C)(C)OC(=O)N1C[C@@H]2C(COc3ccnc(C(F)(F)F)c3)[C@@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.41
LIPE Q05469 1/20 0.39
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
GPR119 Q8TDV5 4/20 0.39
ANO1 Q5XXA6 1/20 0.38
STS P08842 1/20 0.37
TACR1 P25103 2/20 0.37
RORC P51449 1/20 0.37
SYK P43405 1/20 0.36
EPHX2 P34913 1/20 0.36
SSTR4 P31391 1/20 0.36

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
SCHEMBL27158547 0.85 HDAC4 (0.37)
SCHEMBL27158544 0.85 HDAC4 (0.37)
SCHEMBL29912934 0.84 GPR119 (0.46) JAK3LIPEGPR119
SCHEMBL27158749 0.83 SLC2A1 (0.51) GPR119STS
SCHEMBL29913023 0.81 JAK3 (0.41) JAK3LIPEGPR119ANO1STS
SCHEMBL30328247 0.79 GPR119 (0.52) JAK2JAK1GPR119
SCHEMBL29912927 0.79 JAK3 (0.39) JAK3LIPEGPR119STSTACR1
SCHEMBL29912773 0.79 IDH1 (0.44) JAK3LIPEGPR119TACR1RORC
SCHEMBL16651835 0.78 STS (0.42) LIPEJAK2JAK1GPR119STS
SCHEMBL20743087 0.78 GPBAR1 (0.45) JAK2JAK1TACR1RORC

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
US-20240262832-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2024-08-08 US disclosed
EP-4329881-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-03-06 EP disclosed
WO-2022232383-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2022-11-03 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-20240262832-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF GBA1, GAA, GBA2 JAK3 4078/4885LIPE 250/4885JAK2 3245/4885

“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.