SCHEMBL2742863

CN[C@@H](CCC(=O)O)C(=O)C(=O)[C@H](CCCCN)NC(=O)C(C)NC(=O)[C@H](C)NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(CCC(=O)O)NNC(CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)N[C@@H](CO)C(=O)NC(C(=O)N[C@@H](CC(=O)O)C(=O)C(=O)[C@H](CO)NN[C@H](C(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](Cc1cnc[nH]1)NN)[C@@H](C)O)[C@@H](C)O)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	4/20	0.61

▸	NR3C1	P04150	6/20	0.61

▸	VIPR1	P32241	4/20	0.56

▸	VIPR2	P41587	4/20	0.56

▸	GLP1R	P43220	5/20	0.56

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
SCHEMBL10015457	0.95	TFPI (0.60)	TFPINR3C1VIPR1VIPR2GLP1R
SCHEMBL11932912	0.87	TFPI (0.64)	TFPINR3C1VIPR1VIPR2GLP1R
SCHEMBL2742706	0.87	NR3C1 (0.70)	NR3C1GLP1R
SCHEMBL2759455	0.87	NR3C1 (0.70)	NR3C1GLP1R
SCHEMBL5959058	0.83	GLP1R (0.68)	NR3C1GLP1R
SCHEMBL12405403	0.81	TFPI (0.63)	TFPINR3C1GLP1R
SCHEMBL30817669	0.80	GLP1R (0.70)	GLP1R
SCHEMBL12438762	0.80	TFPI (0.55)	TFPINR3C1VIPR1VIPR2GLP1R
SCHEMBL30987835	0.80	GLP1R (0.75)	GLP1R
SCHEMBL31406266	0.80	GLP1R (0.75)	GLP1R

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-8859494-B2	Spirocyclically substituted 1,3-propane dioxide derivatives, processes for preparation thereof and use thereof as a medicament	SANOFI (FR)	2014-10-14	—	—	US	disclosed
US-20120004187-A1	SPIROCYCLICALLY SUBSTITUTED 1,3-PROPANE DIOXIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT	SANOFI (FR)	2012-01-05	—	—	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-20120004187-A1	SPIROCYCLICALLY SUBSTITUTED 1,3-PROPANE DIOXIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT	REN, PKD1, AKR1C3	TFPI 1657/4885NR3C1 212/4885VIPR1 539/4885

“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.