SCHEMBL25214699

SCHEMBL25214699

CC(C)(C)OC(=O)CNC[C@H]1CCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
BTK Q06187 1/20 0.32
HSD17B10 Q99714 1/20 0.31
EPHX1 P07099 1/20 0.31
DRD2 P14416 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
SCHEMBL25284095 1.00 SMN1; SMN2 (0.34) SMN1; SMN2KDM4EPKMHRH3L3MBTL1
SCHEMBL25221067 0.92 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EHRH3L3MBTL1KMT2A
SCHEMBL25293272 0.92 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EHRH3L3MBTL1KMT2A
SCHEMBL25267557 0.83 USP2 (0.35) SMN1; SMN2
SCHEMBL25267556 0.83 USP2 (0.35) SMN1; SMN2
SCHEMBL28108703 0.80 SMN1; SMN2 (0.33) SMN1; SMN2KMT2ABTK
SCHEMBL25258556 0.79 DRD2 (0.44) SMN1; SMN2KDM4EPKMKMT2AMEN1
SCHEMBL25290598 0.79 DRD2 (0.44) SMN1; SMN2KDM4EPKMKMT2AMEN1
SCHEMBL25762540 0.79 HTT (0.47) SMN1; SMN2
SCHEMBL25242973 0.79 SMN1; SMN2 (0.39) SMN1; SMN2HRH3L3MBTL1KMT2AALDH1A1

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
CN-118355020-A Therapeutic compounds for HIV virus infection 吉利德科学公司 2024-07-16 CN disclosed
US-20230203071-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. 2023-06-29 US disclosed
WO-2023102529-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. (US) 2023-06-08 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-20230203071-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION HAVCR2, MAVS, CD4 SMN1; SMN2 3008/4885KDM4E 2317/4885PKM 2888/4885

“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.