SCHEMBL17448206

SCHEMBL17448206

CC(C)NCCOC(=O)Nc1ccc(COC(=O)C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
HPGD P15428 3/20 0.45
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
NAMPT P43490 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.39
CASP1 P29466 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL19154684 0.87 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1MEN1KMT2ANPC1
SCHEMBL20975935 0.86 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1MEN1KMT2ANPC1
SCHEMBL1753752 0.82 MEN1 (0.51) SMN1; SMN2L3MBTL1MEN1KMT2ANPC1
SCHEMBL17448211 0.82 EPHX1 (0.43) NPC1LMNANAMPTMAPT
SCHEMBL17448208 0.81 LTA4H (0.47) SMN1; SMN2L3MBTL1MEN1KMT2ANPC1
SCHEMBL25457857 0.79 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1MEN1KMT2ANPC1
SCHEMBL19370640 0.77 CTSB (0.38) SMN1; SMN2MEN1KMT2ALMNAMAPK1
SCHEMBL19592560 0.77 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1MEN1KMT2ANPC1
SCHEMBL21671263 0.77 MEN1 (0.56) SMN1; SMN2MEN1KMT2ARAB9AHPGD
SCHEMBL19491612 0.77 KMT2A (0.58) SMN1; SMN2L3MBTL1MEN1KMT2ANPC1

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
US-10280229-B2 Linkers and their application towards ADC MEDSHINE DISCOVERY INC. (CN) 2019-05-07 US disclosed
US-20170202974-A1 LINKERS AND THEIR APPLICATION TOWARDS ADC MEDSHINE DISCOVERY INC. (CN) 2017-07-20 US disclosed
WO-2016008392-A1 LINKERS AND THEIR APPLICATION TOWARDS ADC MEDSHINE DISCOVERY INC. (CN) 2016-01-21 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-20170202974-A1 LINKERS AND THEIR APPLICATION TOWARDS ADC DNPEP, DPP7, DPP3 SMN1; SMN2 2988/4885L3MBTL1 1457/4885MEN1 3002/4885
US-10280229-B2 Linkers and their application towards ADC DNPEP, DPP7, DPP3 SMN1; SMN2 2988/4885L3MBTL1 1457/4885MEN1 3002/4885

“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.