SCHEMBL30452094

SCHEMBL30452094

CC(C)(C)OC(=O)CNC[C@H]1COCCN1C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 1/20 0.42
TMEM97 Q5BJF2 3/20 0.42
SIGMAR1 Q99720 3/20 0.42
PARP1 P09874 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
PREP P48147 1/20 0.39
F10 P00742 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38

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
SCHEMBL31509786 0.92 MEN1 (0.45) MEN1KMT2ANPSR1HTTTMEM97
SCHEMBL18988819 0.89 MEN1 (0.49) MEN1KMT2ANPSR1HTTTMEM97
SCHEMBL25762540 0.87 HTT (0.47) HTTPARP1NPC1RAB9APDK1
SCHEMBL30452743 0.86 MEN1 (0.46) MEN1KMT2ANPSR1HTTTMEM97
SCHEMBL30452590 0.85 NPSR1 (0.46) KMT2ANPSR1HTTPREP
SCHEMBL19056526 0.82 ABCB1 (0.49) MEN1KMT2ANPSR1HTTPARP1
SCHEMBL18988779 0.81 NPSR1 (0.52) MEN1KMT2ANPSR1HTTTMEM97
SCHEMBL25267557 0.81 USP2 (0.35) NPC1RAB9APDK1PDK2PDK3
SCHEMBL25267556 0.81 USP2 (0.35) NPC1RAB9APDK1PDK2PDK3
SCHEMBL18988799 0.79 MEN1 (0.56) MEN1KMT2ANPSR1TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4440700-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION Gilead Sciences, Inc. (US) 2024-10-09 EP disclosed
US-12084467-B2 Therapeutic compounds for HIV virus infection GILEAD SCIENCES, INC. (US) 2024-09-10 US 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 (2 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-12084467-B2 Therapeutic compounds for HIV virus infection HAVCR2, MAVS, CD4 MEN1 4418/4885KMT2A 3782/4885NPSR1 4454/4885
US-20230203071-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION HAVCR2, MAVS, CD4 MEN1 4418/4885KMT2A 3782/4885NPSR1 4454/4885

“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.