SCHEMBL13227619

CC[C@@H](C)[C@H](C=O)N[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)N[C@@H](C=O)CCCNC(=N)N)N[C@@H](C=O)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](N[C@@H](C)C=O)C(=O)N[C@@H](N[C@@H](C=O)CCC(N)=O)C(=O)N[C@@H](N[C@@H](C)C=O)C(=O)N[C@@H](N[C@@H](C=O)CC(C)C)C(=O)N[C@@H](N[C@@H](C=O)CCCNC(=N)N)C(=O)N[C@@]1(C)CCC/C=C\CCC[C@@](C)(C(C)=O)NC(=O)[C@H](N[C@@H](C=O)CC(=O)O)NC(=O)CNC(=O)[C@H](N[C@@H](C=O)[C@H](C)CC)NC1=O

nearest known ligand 0.50

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	BCL2A1	Q16548	3/20	0.50

▸	RXFP3	Q9NSD7	7/20	0.44

▸	EED	O75530	1/20	0.44

▸	MDM2	Q00987	5/20	0.43

▸	MDM4	O15151	4/20	0.43

▸	RXFP4	Q8TDU9	6/20	0.43

▸	MCL1	Q07820	1/20	0.42

▸	CTNNB1	P35222	2/20	0.41

▸	PCSK9	Q8NBP7	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.

Compound	similarity	top predicted	shared targets
SCHEMBL13227597	1.00	BCL2A1 (0.51)	BCL2A1RXFP3EEDMDM2MDM4
SCHEMBL13227631	0.98	BCL2A1 (0.50)	BCL2A1RXFP3EEDMDM2MDM4
SCHEMBL13227611	0.98	BCL2A1 (0.50)	BCL2A1RXFP3EEDMDM2MDM4
SCHEMBL13227603	0.82	ESR1 (0.45)	CTNNB1PCSK9
SCHEMBL13227599	0.79	MDM2 (0.49)	BCL2A1RXFP3EEDMDM2MDM4
SCHEMBL12581011	0.78	BCL2A1 (0.40)	BCL2A1RXFP3EEDMDM2MDM4
SCHEMBL13575404	0.74	ESR1 (0.42)	BCL2A1MCL1
SCHEMBL13575408	0.72	EIF4E (0.42)	BCL2A1MDM2MDM4RXFP4MCL1
SCHEMBL13611018	0.72	EIF4E (0.42)	BCL2A1MDM2MDM4RXFP4MCL1
SCHEMBL13575403	0.72	RXFP1 (0.41)	—

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20100210515-A1	METHODS FOR PREPARING PURIFIED POLYPEPTIDE COMPOSITIONS	AILERON THERAPEUTICS, INC. (US)	2010-08-19	—	—	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.

Patent	Title	Text reads most about	Predicted target · text-rank
US-20100210515-A1	METHODS FOR PREPARING PURIFIED POLYPEPTIDE COMPOSITIONS	VIP, NGLY1, IAPP	BCL2A1 2118/4885RXFP3 699/4885EED 4558/4885

“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.