SCHEMBL17940396

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(C)C)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H]([C]=O)Cc1c[nH]c2ccccc12)[C@@H](C)O

nearest known ligand 0.72

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	RXFP1	Q9HBX9	8/20	0.72

▸	PTH1R	Q03431	7/20	0.67

▸	GLP1R	P43220	5/20	0.66

▸	CCKBR	P32239	1/20	0.66

▸	ECE1	P42892	1/20	0.63

▸	MUS81	Q96NY9	1/20	0.63

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
SCHEMBL17261864	0.96	RXFP1 (0.72)	RXFP1PTH1RGLP1RCCKBRECE1
SCHEMBL31182558	0.93	RXFP1 (0.72)	RXFP1PTH1RGLP1RCCKBRECE1
SCHEMBL29898344	0.90	GLP1R (0.72)	RXFP1PTH1RGLP1RCCKBRECE1
SCHEMBL30658325	0.90	RXFP1 (0.69)	RXFP1PTH1RGLP1RCCKBRECE1
SCHEMBL30658256	0.89	RXFP1 (0.69)	RXFP1PTH1RGLP1RCCKBRECE1
SCHEMBL30658300	0.89	PTH1R (0.72)	RXFP1PTH1RGLP1RCCKBRECE1
SCHEMBL30906408	0.89	RXFP1 (0.69)	RXFP1PTH1RGLP1RCCKBRECE1
SCHEMBL30862316	0.89	RXFP1 (0.80)	RXFP1PTH1RGLP1RCCKBRECE1
SCHEMBL30432060	0.89	PTH1R (0.76)	RXFP1PTH1RGLP1RCCKBRECE1
SCHEMBL30601915	0.88	RXFP1 (0.69)	RXFP1PTH1RGLP1RCCKBRECE1

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-3142649-B1	TREATMENT OF THE COMPLICATIONS OF CHRONIC LIVER DISEASE WITH CASPASE INHIBITOR EMRICASAN	CONATUS PHARMACEUTICALS INC (US)	2019-07-24	—	—	EP	disclosed
EP-3444011-A1	TREATMENT OF THE COMPLICATIONS OF CHRONIC LIVER DISEASE WITH EMRICASAN	Conatus Pharmaceuticals, Inc. (US)	2019-02-20	—	—	EP	disclosed
US-20190022043-A1	METHODS OF USING CASPASE INHIBITORS IN TREATMENT OF LIVER DISEASE	CONATUS PHARMACEUTICALS INC (US)	2019-01-24	—	—	US	disclosed
EP-3397251-A1	METHODS OF USING CASPASE INHIBITORS IN TREATMENT OF LIVER DISEASE	Conatus Pharmaceuticals, Inc. (US)	2018-11-07	—	—	EP	disclosed
WO-2017117478-A1	METHODS OF USING CASPASE INHIBITORS IN TREATMENT OF LIVER DISEASE	CONATUS PHARMACEUTICALS INC. (US)	2017-07-06	—	—	WO	disclosed
US-20170100448-A1	TREATMENT OF THE COMPLICATIONS OF CHRONIC LIVER DISEASE WITH CASPASE INHIBITORS	CONATUS PHARMACEUTICALS INC (US)	2017-04-13	—	—	US	disclosed
US-20160213736-A1	TREATMENT OF THE COMPLICATIONS OF CHRONIC LIVER DISEASE	CONATUS PHARMACEUTICALS, INC.	2016-07-28	—	—	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 (3 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-20190022043-A1	METHODS OF USING CASPASE INHIBITORS IN TREATMENT OF LIVER DISEASE	CASP1, CASP5, CASP2	RXFP1 3961/4885PTH1R 3576/4885GLP1R 1788/4885
US-20170100448-A1	TREATMENT OF THE COMPLICATIONS OF CHRONIC LIVER DISEASE WITH CASPASE INHIBITORS	CASP1, CASP2, CASP5	RXFP1 1215/4885PTH1R 3233/4885GLP1R 586/4885
US-20160213736-A1	TREATMENT OF THE COMPLICATIONS OF CHRONIC LIVER DISEASE	CASP1, SERPINB1, CASP2	RXFP1 853/4885PTH1R 2959/4885GLP1R 483/4885

“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.