SCHEMBL2191632

SCHEMBL2191632

C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H]([C]=O)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.61
OPRM1 P35372 7/20 0.61
OPRK1 P41145 1/20 0.61
CTSC P53634 3/20 0.58
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CTSH P09668 1/20 0.48
CYP2D6 P10635 1/20 0.48
CTSK P43235 1/20 0.48

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
SCHEMBL5996736 0.93 CTSC (0.67) OPRD1OPRM1OPRK1CTSCCYP1A2
SCHEMBL8893265 0.93 CTSC (0.67) OPRD1OPRM1OPRK1CTSCCYP1A2
SCHEMBL9293695 0.93 CTSC (0.67) OPRD1OPRM1OPRK1CTSCCYP1A2
SCHEMBL9143188 0.93 CTSC (0.67) OPRD1OPRM1OPRK1CTSCCYP1A2
SCHEMBL238636 0.89 OPRD1 (0.74) OPRD1OPRM1OPRK1
SCHEMBL241107 0.89 OPRD1 (0.74) OPRD1OPRM1OPRK1
SCHEMBL890405 0.88 CTSC (0.57) OPRD1OPRM1OPRK1CTSCCYP1A2
SCHEMBL890404 0.88 CTSC (0.57) OPRD1OPRM1OPRK1CTSCCYP1A2
SCHEMBL1691349 0.86 CTSC (0.76) CTSCCYP1A2CYP3A4CTSHCYP2D6
SCHEMBL583122 0.86 CTSC (0.76) CTSCCYP1A2CYP3A4CTSHCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8680263-B2 Carbohydrate-based drug delivery polymers and conjugates thereof NEKTAR THERAPEUTICS (US) 2014-03-25 US disclosed
US-20110171312-A1 MODIFIED THERAPEUTIC PEPTIDES, METHODS OF THEIR PREPARATION AND USE NEKTAR THERAPEUTICS (US) 2011-07-14 US disclosed
US-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF 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 OPRD1 3100/4885OPRM1 2317/4885OPRK1 2737/4885
US-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF STT3B, STT3A, DDOST OPRD1 3859/4885OPRM1 3352/4885OPRK1 3229/4885
US-20110171312-A1 MODIFIED THERAPEUTIC PEPTIDES, METHODS OF THEIR PREPARATION AND USE DNPEP, VIP, PTMS OPRD1 2871/4885OPRM1 1535/4885OPRK1 2169/4885

“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.