SCHEMBL2181464

SCHEMBL2181464

CC(C)CC(NC(=O)C1CCCN1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ECE1 P42892 6/20 0.62
▸ GHSR Q92847 2/20 0.59
▸ ERAP2 Q6P179 1/20 0.59
▸ ITGB2 P05107 1/20 0.59
▸ ICAM1 P05362 1/20 0.59
▸ ITGAL P20701 1/20 0.59
▸ ACE P12821 2/20 0.58

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
SCHEMBL9653545 1.00 ECE1 (0.62) ECE1GHSRERAP2ITGB2ICAM1
SCHEMBL30052260 0.96 GHSR (0.62) ECE1GHSRERAP2ITGB2ICAM1
SCHEMBL31606505 0.94 GHSR (0.65) ECE1GHSRERAP2ITGB2ICAM1
SCHEMBL29533411 0.93 GHSR (0.65) ECE1GHSRITGB2ICAM1ITGAL
SCHEMBL29657708 0.92 ERAP2 (0.62) ECE1GHSRERAP2ITGB2ICAM1
SCHEMBL30223334 0.92 GHSR (0.57) ECE1GHSRERAP2ITGB2ICAM1
SCHEMBL30834217 0.92 ECE1 (0.56) ECE1GHSRERAP2ITGB2ICAM1
SCHEMBL30736101 0.91 MMP2 (0.60) ECE1GHSR
SCHEMBL21641802 0.91 ITGB2 (0.67) ECE1GHSRERAP2ITGB2ICAM1
SCHEMBL21641801 0.91 ITGB2 (0.67) ECE1GHSRERAP2ITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0204374-B1 TRIPEPTIDIC COMPOUNDS HAVING HYPOTENSIVE ACTIVITY POLIFARMA S.p.A. (IT) 1992-12-30 — — EP claimed
US-5051404-A Tripeptides of pyroglutamic acid, proline, tryptophan, phenylalanine or tyrosine and a natural aminoacid ENIRICERCHE, S.P.A. (IT) 1991-09-24 — — US claimed
US-20190070251-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NEKTAR THERAPEUTICS 2019-03-07 — — US disclosed
US-9682153-B2 Polymer conjugates of therapeutic peptides NEKTAR THERAPEUTICS (US) 2017-06-20 — — US disclosed
US-20160022828-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NEKTAR THERAPEUTICS 2016-01-28 — — US disclosed
US-9173951-B2 Carbohydrate-based drug delivery polymers and conjugates thereof NEKTAR THERAPEUTICS (US) 2015-11-03 — — US disclosed
US-20150051371-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF NEKTAR THERAPEUTICS (US) 2015-02-19 — — US disclosed
US-8680263-B2 Carbohydrate-based drug delivery polymers and conjugates thereof NEKTAR THERAPEUTICS (US) 2014-03-25 — — US disclosed
US-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF NEKTAR THERAPEUTICS (US) 2011-07-14 — — US disclosed
US-20110171312-A1 MODIFIED THERAPEUTIC PEPTIDES, METHODS OF THEIR PREPARATION AND USE NEKTAR THERAPEUTICS (US) 2011-07-14 — — US disclosed
US-20110166063-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NEKTAR THERAPEUTICS (US) 2011-07-07 — — US disclosed
EP-0204374-B1 TRIPEPTIDIC COMPOUNDS HAVING HYPOTENSIVE ACTIVITY POLIFARMA S.p.A. (IT) 1992-12-30 — — EP disclosed
US-5051404-A Tripeptides of pyroglutamic acid, proline, tryptophan, phenylalanine or tyrosine and a natural aminoacid ENIRICERCHE, S.P.A. (IT) 1991-09-24 — — US disclosed
EP-0204374-A2 Tripeptidic compounds having hypotensive activity POLIFARMA S.p.A. (IT) 1986-12-10 — — EP 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 (6 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-20160022828-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NGLY1, CD44, IAPP ECE1 1503/4885GHSR 1894/4885ERAP2 638/4885
US-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF STT3B, STT3A, DDOST ECE1 1900/4885GHSR 1832/4885ERAP2 1822/4885
US-20150051371-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF STT3B, STT3A, DDOST ECE1 1900/4885GHSR 1832/4885ERAP2 1822/4885
US-20110166063-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NGLY1, CD44, IAPP ECE1 1503/4885GHSR 1894/4885ERAP2 638/4885
US-20190070251-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NGLY1, CD44, IAPP ECE1 1503/4885GHSR 1894/4885ERAP2 638/4885
US-20110171312-A1 MODIFIED THERAPEUTIC PEPTIDES, METHODS OF THEIR PREPARATION AND USE DNPEP, VIP, PTMS ECE1 1317/4885GHSR 1457/4885ERAP2 697/4885

“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.

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