SCHEMBL14817100

SCHEMBL14817100

CCNC(=O)CNC(=O)[C@@H]1CSCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSG P08311 2/20 0.55
▸ PLAU P00749 2/20 0.54
▸ MC4R P32245 8/20 0.53
▸ MC5R P33032 8/20 0.53
▸ MC3R P41968 8/20 0.53
▸ MC1R Q01726 8/20 0.53
▸ NNMT P40261 1/20 0.48
▸ GRB7 Q14451 1/20 0.48
▸ KLKB1 P03952 2/20 0.48
▸ ITGB3 P05106 2/20 0.48
▸ ITGA2B P08514 2/20 0.48
▸ TSLP Q969D9 2/20 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
SCHEMBL14817105 0.95 CTSG (0.55) CTSGPLAUMC4RMC5RMC3R
SCHEMBL14096826 0.93 CTSG (0.59) CTSGPLAUMC4RMC5RMC3R
SCHEMBL14137295 0.93 CTSG (0.54) CTSGPLAUMC4RMC5RMC3R
SCHEMBL13659870 0.92 CTSG (0.59) CTSGPLAUMC4RMC5RMC3R
SCHEMBL12837665 0.90 CTSG (0.51) CTSGPLAUMC4RMC5RMC3R
SCHEMBL13656565 0.90 CTSG (0.51) CTSGPLAUMC4RMC5RMC3R
SCHEMBL14962605 0.89 MC4R (0.54) CTSGPLAUMC4RMC5RMC3R
SCHEMBL14096946 0.89 MC4R (0.59) CTSGPLAUMC4RMC5RMC3R
SCHEMBL14107743 0.88 TSLP (0.54) CTSGMC4RMC5RMC3RMC1R
SCHEMBL22382215 0.88 TSLP (0.54) CTSGMC4RMC5RMC3RMC1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404802-B2 a targeting vector which binds to receptors associated with integrin receptors, angiogenesis; contrast agents; diagnosis of malignant diseases, heart diseases, inflammation-related diseases, rheumatoid arthritis and Kaposi's sarcoma GE HEALTHCARE AS (NO) 2013-03-26 — — US disclosed
US-20080187493-A1 a targeting vector which binds to receptors associated with integrin receptors, angiogenesis; contrast agents; diagnosis of malignant diseases, heart diseases, inflammation-related diseases, rheumatoid arthritis and Kaposi's sarcoma GE HEALTHCARE AS (NO) 2008-08-07 — — US disclosed
US-7351790-B2 Peptide-based compounds GE HEALTHCARE AS (NO) 2008-04-01 — — 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-20080187493-A1 a targeting vector which binds to receptors associated with integrin receptors, angiogenesis; contrast agents; diagnosis of malignant diseases, heart diseases, inflammation-related diseases, rheumatoid arthritis and Kaposi's sarcoma KDR, VCAM1, FLT1 CTSG 887/4885PLAU 857/4885MC4R 2604/4885

“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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