SCHEMBL2193829

SCHEMBL2193829

NCCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]([C]=O)Cc1c[nH]cn1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC15A2 Q16348 1/20 0.35
▸ FOLH1 Q04609 3/20 0.33
▸ GART P22102 6/20 0.33
▸ CALCRL Q16602 2/20 0.32
▸ TYMS P04818 3/20 0.32
▸ ATIC P31939 3/20 0.32
▸ MMP8 P22894 2/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ ITGB3 P05106 2/20 0.31
▸ ITGA2B P08514 2/20 0.31
▸ NMT2 O60551 1/20 0.31
▸ NMT1 P30419 1/20 0.31
▸ BMP1 P13497 1/20 0.31
▸ CHRNB2 P17787 1/20 0.30
▸ CHRNB4 P30926 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30
▸ CHRNA4 P43681 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP12 P39900 1/20 0.30

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
SCHEMBL2157922 0.85 NOD1 (0.39) SLC15A2FOLH1GARTTYMSATIC
SCHEMBL2196425 0.81 PSMB1 (0.41) MMP8MMP1MMP2
SCHEMBL11598962 0.81 DPP4 (0.39) —
SCHEMBL7285903 0.81 CHRNB2 (0.41) CALCRLMMP8MMP1ITGB3ITGA2B
SCHEMBL7285888 0.81 CHRNB2 (0.41) CALCRLMMP8MMP1ITGB3ITGA2B
SCHEMBL31265389 0.80 SLC15A2 (0.51) SLC15A2FOLH1CALCRL
SCHEMBL4409880 0.80 CTSC (0.32) MMP2
SCHEMBL6379003 0.79 SLC15A2 (0.47) SLC15A2CALCRLITGB3ITGA2B
SCHEMBL541261 0.79 ITGB3 (0.44) SLC15A2ITGB3ITGA2B
SCHEMBL10937318 0.79 ITGB3 (0.44) SLC15A2ITGB3ITGA2B

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20110171716-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF STT3B, STT3A, DDOST SLC15A2 150/4885FOLH1 287/4885GART 1079/4885
US-20150051371-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF STT3B, STT3A, DDOST SLC15A2 150/4885FOLH1 287/4885GART 1079/4885

“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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