SCHEMBL20547280

SCHEMBL20547280

O=C(CCl)N1CCOCCN(C(=O)CCl)CCOCCN(C(=O)CCl)CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
TSHR P16473 2/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 3/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
KMT2A Q03164 2/20 0.47
GLA P06280 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 2/20 0.46
MEN1 O00255 1/20 0.46
FKBP1A P62942 2/20 0.46

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
SCHEMBL78389 1.00 L3MBTL1 (0.59) L3MBTL1TSHRALOX15HSD17B10ALDH1A1
SCHEMBL18011765 1.00 L3MBTL1 (0.59) L3MBTL1TSHRALOX15HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL8118571 0.98 L3MBTL1 (0.57) L3MBTL1TSHRALOX15HSD17B10ALDH1A1
SCHEMBL31677054 0.98 L3MBTL1 (0.57) L3MBTL1TSHRALOX15HSD17B10ALDH1A1
SCHEMBL13893262 0.98 L3MBTL1 (0.57) L3MBTL1TSHRALOX15HSD17B10ALDH1A1
SCHEMBL11742016 0.92 L3MBTL1 (0.52) L3MBTL1TSHRALOX15HSD17B10ALDH1A1
SCHEMBL773501 0.92 L3MBTL1 (0.52) L3MBTL1TSHRALOX15HSD17B10ALDH1A1
Propionic Acid SCHEMBL23466968 0.88 ALDH1A1 (0.49) L3MBTL1TSHRALOX15HSD17B10ALDH1A1
SCHEMBL22196916 0.87 ALOX15 (0.72) L3MBTL1TSHRALOX15HSD17B10ALDH1A1
SCHEMBL18633170 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024177503-A1 STABILIZED NATIVE PROTEIN COMPLEXES CONJUGATED WITH BRANCHED MOLECULES STICHTING VU (NL) 2024-08-29 WO disclosed
US-11241473-B2 Bicyclic peptide ligands and uses thereof BICYCLETX LIMITED (GB) 2022-02-08 US disclosed
US-11241473-B2 Bicyclic peptide ligands and uses thereof BICYCLETX LIMITED (GB) 2022-02-08 US disclosed
US-20210046145-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF BICYCLETX LIMITED (GB) 2021-02-18 US disclosed
US-20210046145-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF BICYCLETX LIMITED (GB) 2021-02-18 US disclosed
US-10857196-B2 Bicyclic peptide ligands and uses thereof BICYCLETX LIMITED (GB) 2020-12-08 US disclosed
US-10857196-B2 Bicyclic peptide ligands and uses thereof BICYCLETX LIMITED (GB) 2020-12-08 US disclosed
US-20180311300-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF BICYCLETX LIMITED (GB) 2018-11-01 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 (4 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-10857196-B2 Bicyclic peptide ligands and uses thereof VIP, NGLY1, BID L3MBTL1 1883/4885TSHR 1216/4885ALOX15 3936/4885
US-20180311300-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF VIP, NGLY1, BID L3MBTL1 1883/4885TSHR 1216/4885ALOX15 3936/4885
US-20210046145-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF VIP, NGLY1, BID L3MBTL1 1883/4885TSHR 1216/4885ALOX15 3936/4885
US-11241473-B2 Bicyclic peptide ligands and uses thereof VIP, NGLY1, BID L3MBTL1 1883/4885TSHR 1216/4885ALOX15 3936/4885

“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.