SCHEMBL14115079

SCHEMBL14115079

CC(C)(C)OC(=O)NOCC(=O)NCCCC[C@@H]1NC(=O)CSC[C@@H](C(=O)NCCOCCOCCOCCNC(=O)COCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CS)NC1=O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 9/20 0.57
▸ ITGAV P06756 5/20 0.57
▸ ITGB1 P05556 1/20 0.47
▸ ITGA5 P08648 1/20 0.47
▸ ITGB5 P18084 2/20 0.45
▸ SLC40A1 Q9NP59 3/20 0.45
▸ MC4R P32245 3/20 0.43
▸ MC5R P33032 3/20 0.43
▸ MC3R P41968 3/20 0.43
▸ MC1R Q01726 3/20 0.43
▸ CTSG P08311 1/20 0.42
▸ ITGA2B P08514 4/20 0.41
▸ GRB7 Q14451 1/20 0.41
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ TSLP Q969D9 1/20 0.40

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
SCHEMBL12947539 0.96 ITGB3 (0.56) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL9909402 0.96 ITGB3 (0.56) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14090938 0.94 ITGB3 (0.64) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14845482 0.93 ITGB3 (0.52) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14845480 0.93 ITGB3 (0.52) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL15335356 0.93 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL9908267 0.91 ITGB3 (0.63) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL13014865 0.91 ITGB3 (0.63) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14115074 0.91 ITGB3 (0.56) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL14226081 0.89 ITGB3 (0.55) ITGB3ITGAVITGB1ITGA5ITGB5

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-20080206151-A1 Liposomes GE HEALTHCARE AS (NO) 2008-08-28 — — 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-20080206151-A1 Liposomes PHOSPHO1, PLTP, CLPTM1L ITGB3 1001/4885ITGAV 255/4885ITGB1 987/4885

“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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