SCHEMBL25964987

SCHEMBL25964987

CC(C)OC(=O)Nc1ccc(COC(=O)C(C)S)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALOX15 P16050 1/20 0.43
NAMPT P43490 1/20 0.43
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP14 P50281 1/20 0.40

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
SCHEMBL25457857 0.88 SMN1; SMN2 (0.56) SMN1; SMN2HPGDNPC1RAB9ACYP1A2
SCHEMBL21152897 0.80 APP (0.41) SMN1; SMN2HPGDRAB9AKDM4EMEN1
SCHEMBL5023024 0.80 HPGD (0.65) SMN1; SMN2HPGDNPC1RAB9ACYP1A2
SCHEMBL15143918 0.79 SMN1; SMN2 (0.79) SMN1; SMN2HPGDNPC1RAB9ACYP1A2
SCHEMBL9674322 0.77 SMN1; SMN2 (0.61) SMN1; SMN2HPGDNPC1RAB9ACYP1A2
SCHEMBL8867553 0.76 CYP4F2 (0.59) SMN1; SMN2HPGDNPC1RAB9ACYP1A2
SCHEMBL8867545 0.76 NPC1 (0.59) SMN1; SMN2HPGDNPC1RAB9ACYP1A2
SCHEMBL14349998 0.76 HPGD (0.59) SMN1; SMN2HPGDNPC1RAB9ACYP1A2
SCHEMBL22625788 0.75 SMN1; SMN2 (0.51) SMN1; SMN2HPGDNPC1RAB9ACYP1A2
SCHEMBL22001309 0.75 MEN1 (0.56) SMN1; SMN2RAB9ACYP1A2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230256109-A1 Trans-Cyclooctene Bioorthogonal Agents and Uses in Cancer and Immunotherapy TAMBO, INC. 2023-08-17 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-20230256109-A1 Trans-Cyclooctene Bioorthogonal Agents and Uses in Cancer and Immunotherapy ICOS, CD74, PBK SMN1; SMN2 4078/4885HPGD 582/4885NPC1 2817/4885

“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.