SCHEMBL25293272

SCHEMBL25293272

CC(C)(C)OC(=O)CNCC1CCCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.37
OPRD1 P41143 1/20 0.36
KMT2A Q03164 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
FAP Q12884 2/20 0.36
PREP P48147 1/20 0.36
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM1A O60341 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34

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
SCHEMBL25221067 1.00 SMN1; SMN2 (0.40) SMN1; SMN2HSD17B10OPRD1KMT2AHRH3
SCHEMBL25214699 0.92 SMN1; SMN2 (0.34) SMN1; SMN2HSD17B10KMT2AHRH3ALDH1A1
SCHEMBL25284095 0.92 SMN1; SMN2 (0.34) SMN1; SMN2HSD17B10KMT2AHRH3ALDH1A1
SCHEMBL25292488 0.87 SMN1; SMN2 (0.39) SMN1; SMN2HSD17B10OPRD1KMT2AHRH3
SCHEMBL25242973 0.87 SMN1; SMN2 (0.39) SMN1; SMN2HSD17B10OPRD1KMT2AHRH3
SCHEMBL3340325 0.86 L3MBTL1 (0.38) KMT2AHRH3FAPPREPALDH1A1
SCHEMBL9354741 0.83 SMN1; SMN2 (0.45) SMN1; SMN2HSD17B10OPRD1KMT2AFPR3
SCHEMBL337262 0.83 SMN1; SMN2 (0.45) SMN1; SMN2HSD17B10OPRD1KMT2AFPR3
SCHEMBL10902010 0.82 XPNPEP1 (0.39) SMN1; SMN2HSD17B10OPRD1KMT2AHRH3
SCHEMBL10902001 0.82 XPNPEP1 (0.39) SMN1; SMN2HSD17B10OPRD1KMT2AHRH3

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
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

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 3008/4885HSD17B10 1730/4885OPRD1 2540/4885

“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.