SCHEMBL18737387

C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@H](CCC)C(=O)N(C)[C@H](SCCCN(CC)CC)C(=O)N(C)[C@@H](CC(C)(C)OC)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@H](CCC(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](C(C)C)C(=O)N1C

nearest known ligand 0.72

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	PPIA	P62937	20/20	0.72

▸	PPIB	P23284	9/20	0.67

▸	CYP3A4	P08684	1/20	0.67

▸	CYP2C9	P11712	1/20	0.67

▸	PPIF	P30405	1/20	0.67

▸	CYP2C19	P33261	1/20	0.67

▸	SLCO1B1	Q9Y6L6	2/20	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
SCHEMBL18737271	0.96	PPIA (0.78)	PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL18737005	0.94	PPIA (0.81)	PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL18737393	0.94	PPIA (0.72)	PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL15183866	0.93	PPIA (0.83)	PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL18736987	0.92	PPIA (0.77)	PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL18737364	0.92	PPIA (0.70)	PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL18737378	0.91	PPIA (0.86)	PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL18737083	0.91	PPIA (0.72)	PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL19861084	0.90	PPIA (0.69)	PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL18720060	0.90	PPIA (0.89)	PPIAPPIBCYP3A4CYP2C9PPIF

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-20170101445-A1	NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION	S&T GLOBAL INC.	2017-04-13	—	—	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-20170101445-A1	NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION	HAVCR2, TSLP, HLA-DRB1	PPIA 610/4885PPIB 297/4885CYP3A4 257/4885

“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.