SCHEMBL20756459

SCHEMBL20756459

CC(C)Cc1cccc(C(=O)N(C)CCN(CCN(C)C(=O)c2cccc(CC(C)C)c2)CCN(C)C(=O)c2cccc(CC(C)C)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
PARP1 P09874 3/20 0.44
HSD17B1 P14061 2/20 0.43
HSD17B2 P37059 2/20 0.43
ACACB O00763 2/20 0.42
SLC7A5 Q01650 3/20 0.41
GYS1 P13807 1/20 0.40
FOLH1 Q04609 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAP1LC3B Q9GZQ8 1/20 0.38
MAP1LC3A Q9H492 1/20 0.38

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
SCHEMBL22753452 0.95 MEN1 (0.46) KMT2AMEN1PARP1HSD17B1HSD17B2
SCHEMBL22434466 0.92 KMT2A (0.44) KMT2AMEN1PARP1HSD17B1HSD17B2
SCHEMBL22404402 0.92 MEN1 (0.44) KMT2AMEN1PARP1HSD17B1HSD17B2
SCHEMBL20614484 0.87 MEN1 (0.40) KMT2AMEN1PARP1HSD17B1HSD17B2
SCHEMBL8171448 0.85 KMT2A (0.53) KMT2AMEN1HSD17B1HSD17B2SLC7A5
SCHEMBL10160068 0.83 KMT2A (0.49) KMT2AMEN1HSD17B1HSD17B2SLC7A5
SCHEMBL15592780 0.83 KMT2A (0.54) KMT2AMEN1HSD17B1HSD17B2SLC7A5
SCHEMBL22352080 0.80 ACACB (0.40) KMT2AMEN1PARP1HSD17B1HSD17B2
SCHEMBL18970421 0.80 KMT2A (0.61) KMT2AMEN1HSD17B1HSD17B2ACACB
SCHEMBL18717377 0.79 PARP1 (0.57) KMT2AMEN1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746126-B2 Bicyclic peptide ligands with detectable moieties and uses thereof Bicyclerd Limited (GB) 2023-09-05 US disclosed
US-11241473-B2 Bicyclic peptide ligands and uses thereof BICYCLETX LIMITED (GB) 2022-02-08 US disclosed
US-20210147484-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF BICYCLETX LIMITED (GB) 2021-05-20 US disclosed
US-20210046145-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF BICYCLETX LIMITED (GB) 2021-02-18 US disclosed
US-10919937-B2 Bicyclic peptide ligands and uses thereof BICYCLETX LIMITED (GB) 2021-02-16 US disclosed
US-10857196-B2 Bicyclic peptide ligands and uses thereof BICYCLETX LIMITED (GB) 2020-12-08 US disclosed
US-20200291096-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF Bicyclerd Limited (GB) 2020-09-17 US disclosed
US-20200283482-A1 BICYCLIC PEPTIDE LIGAND PRR-A CONJUGATES AND USES THEREOF Bicyclerd Limited (GB) 2020-09-10 US disclosed
US-20200131228-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF BICYCLETX LIMITED (GB) 2020-04-30 US disclosed
WO-2019034868-A1 BICYCLIC PEPTIDE LIGAND PRR-A CONJUGATES AND USES THEREOF Bicyclerd Limited (GB) 2019-02-21 WO disclosed
WO-2019034866-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF Bicyclerd Limited (GB) 2019-02-21 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 (9 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 KMT2A 4757/4885MEN1 938/4885PARP1 3069/4885
US-20200131228-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF VIP, NGLY1, BID KMT2A 4757/4885MEN1 938/4885PARP1 3069/4885
US-20200291096-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF STING1, BID, VIP KMT2A 3919/4885MEN1 1257/4885PARP1 417/4885
US-20210046145-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF VIP, NGLY1, BID KMT2A 4757/4885MEN1 938/4885PARP1 3069/4885
US-11746126-B2 Bicyclic peptide ligands with detectable moieties and uses thereof VIP, NGLY1, GRPR KMT2A 4824/4885MEN1 867/4885PARP1 3162/4885
US-20210147484-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF VIP, NGLY1, BID KMT2A 4757/4885MEN1 938/4885PARP1 3069/4885
US-10919937-B2 Bicyclic peptide ligands and uses thereof VIP, NGLY1, BID KMT2A 4757/4885MEN1 938/4885PARP1 3069/4885
US-20200283482-A1 BICYCLIC PEPTIDE LIGAND PRR-A CONJUGATES AND USES THEREOF PRRC2A, GRPR, QRFPR KMT2A 2394/4885MEN1 599/4885PARP1 1174/4885
US-11241473-B2 Bicyclic peptide ligands and uses thereof VIP, NGLY1, BID KMT2A 4757/4885MEN1 938/4885PARP1 3069/4885

“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.