SCHEMBL18407645

SCHEMBL18407645

C[C@H](N)C(=O)NN1CSSC[C@@H](C(=O)NCC(=O)C[C@@H](CCNC(=O)c2ccc(NN)nc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N2

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSG P08311 2/20 0.49
▸ PLAU P00749 2/20 0.47
▸ TSLP Q969D9 4/20 0.46
▸ KLKB1 P03952 3/20 0.44
▸ MC4R P32245 8/20 0.44
▸ MC5R P33032 8/20 0.44
▸ MC3R P41968 8/20 0.44
▸ MC1R Q01726 8/20 0.44
▸ ITGB3 P05106 1/20 0.44
▸ ITGAV P06756 1/20 0.44

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
SCHEMBL16450932 0.81 CTSG (0.54) CTSGPLAUTSLPKLKB1MC4R
SCHEMBL13319649 0.77 CTSG (0.69) CTSGPLAUTSLPKLKB1
SCHEMBL10033237 0.73 ITGB3 (0.64) CTSGPLAUTSLPKLKB1MC4R
SCHEMBL13351721 0.73 CTSG (0.62) CTSGPLAUTSLPKLKB1MC4R
SCHEMBL13659870 0.72 CTSG (0.59) CTSGPLAUTSLPKLKB1MC4R
SCHEMBL14096946 0.71 MC4R (0.59) CTSGPLAUTSLPKLKB1MC4R
SCHEMBL14096826 0.71 CTSG (0.59) CTSGPLAUTSLPKLKB1MC4R
SCHEMBL14096793 0.71 CTSG (0.65) CTSGPLAUKLKB1MC4RMC5R
SCHEMBL14096800 0.71 CTSG (0.65) CTSGPLAUKLKB1MC4RMC5R
SCHEMBL14096799 0.71 CTSG (0.57) CTSGPLAUTSLPKLKB1MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170022497-A1 Polyconjugates for Delivery of RNAi triggers to Tumor Cells In Vivo Arrowhead Pharmaceuticals, Inc. 2017-01-26 — — 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 (1 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-20170022497-A1 Polyconjugates for Delivery of RNAi triggers to Tumor Cells In Vivo PAM, PLAUR, M6PR CTSG 855/4885PLAU 65/4885TSLP 4706/4885

“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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