SCHEMBL88552

SCHEMBL88552

CCOC(=O)/C(C)=C/C(NC)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.40
MAPT P10636 2/20 0.37
CYP2D6 P10635 3/20 0.36
CYP2C19 P33261 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 3/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL58098 1.00 GLO1 (0.40) GLO1MAPTCYP2D6CYP2C19NPSR1
SCHEMBL3183195 0.81 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL3183190 0.81 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL5076118 0.79 GLO1 (0.47) GLO1MAPTCYP2D6CYP2C19NPSR1
SCHEMBL5076122 0.79 GLO1 (0.47) GLO1MAPTCYP2D6CYP2C19NPSR1
SCHEMBL28700539 0.79 CA1 (0.43) MAPTCYP2D6CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL515813 0.79 GLO1 (0.40) GLO1MAPTCYP2D6CYP2C19NPSR1
SCHEMBL6672418 0.78 GLO1 (0.37) GLO1MAPTCYP2D6CYP2C19NPSR1
SCHEMBL6672423 0.78 GLO1 (0.37) GLO1MAPTCYP2D6CYP2C19NPSR1
SCHEMBL12202700 0.78 DPP4 (0.40) GLO1CYP2D6CYP2C19CYP2C9

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-106255513-B Sulfonamide-containing linking systems for drug conjugates 酵活有限公司 2022-01-14 CN disclosed
US-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2012-12-06 US disclosed
EP-2374454-A1 Hemiasterlin derivatives and uses thereof in the treatment of cancer Eisai R&D Management Co., Ltd. (JP) 2011-10-12 EP 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-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS GLO1 2768/4885MAPT 4790/4885CYP2D6 279/4885

“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.