SCHEMBL2195263

SCHEMBL2195263

CC(C)C[C@@H]([C]=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 8/20 0.52
MMP1 P03956 1/20 0.51
ERAP2 Q6P179 1/20 0.50
RXFP1 Q9HBX9 1/20 0.48
IL23R Q5VWK5 5/20 0.47
PTH1R Q03431 1/20 0.47
GHSR Q92847 2/20 0.46
NPY2R P49146 1/20 0.46

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
SCHEMBL2277328 0.89 ERAP2 (0.57) KISS1RMMP1ERAP2
SCHEMBL30305295 0.86 KISS1R (0.54) KISS1RIL23RGHSRNPY2R
SCHEMBL30130546 0.86 KISS1R (0.54) KISS1RERAP2IL23RNPY2R
SCHEMBL30305322 0.86 KISS1R (0.54) KISS1RIL23RNPY2R
SCHEMBL30130574 0.86 KISS1R (0.54) KISS1RERAP2IL23RNPY2R
SCHEMBL29732780 0.86 KISS1R (0.54) KISS1RIL23RNPY2R
SCHEMBL30130572 0.86 KISS1R (0.54) KISS1RERAP2IL23RNPY2R
SCHEMBL30092951 0.86 KISS1R (0.54) KISS1RERAP2IL23RNPY2R
SCHEMBL31110538 0.86 KISS1R (0.54) KISS1RIL23RGHSRNPY2R
SCHEMBL30305302 0.86 KISS1R (0.54) KISS1RIL23RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20110171312-A1 MODIFIED THERAPEUTIC PEPTIDES, METHODS OF THEIR PREPARATION AND USE NEKTAR THERAPEUTICS (US) 2011-07-14 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160022828-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NGLY1, CD44, IAPP KISS1R 1433/4885MMP1 653/4885ERAP2 638/4885
US-20190070251-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NGLY1, CD44, IAPP KISS1R 1433/4885MMP1 653/4885ERAP2 638/4885
US-20110171312-A1 MODIFIED THERAPEUTIC PEPTIDES, METHODS OF THEIR PREPARATION AND USE DNPEP, VIP, PTMS KISS1R 1880/4885MMP1 934/4885ERAP2 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.