SCHEMBL14274987

SCHEMBL14274987

CCCOCCOCCn1cc(CCCC(=O)N[C@H]2CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC2=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N3)nn1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRNA10 Q9GZZ6 2/20 0.55
▸ CHRNA9 Q9UGM1 2/20 0.55
▸ CHRNA7 P36544 1/20 0.55
▸ TSLP Q969D9 10/20 0.49
▸ MC4R P32245 7/20 0.48
▸ MC5R P33032 7/20 0.48
▸ MC3R P41968 7/20 0.48
▸ MC1R Q01726 7/20 0.48
▸ ITGB3 P05106 1/20 0.48
▸ ITGB1 P05556 1/20 0.48
▸ ITGAV P06756 1/20 0.48
▸ ITGA5 P08648 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
SCHEMBL13038593 0.92 ITGB3 (0.53) CHRNA10CHRNA9CHRNA7TSLPMC4R
SCHEMBL12146083 0.86 TSLP (0.56) TSLPMC4RMC5RMC3RMC1R
SCHEMBL13074972 0.85 CHRNA7 (0.46) CHRNA10CHRNA9CHRNA7TSLPMC4R
SCHEMBL15397365 0.84 ITGB3 (0.59) CHRNA10CHRNA9CHRNA7MC4RMC5R
SCHEMBL10138562 0.84 ITGB3 (0.59) CHRNA10CHRNA9CHRNA7MC4RMC5R
SCHEMBL13038609 0.83 CHRNA10 (0.55) CHRNA10CHRNA9CHRNA7TSLPMC4R
SCHEMBL13038608 0.81 MC4R (0.51) TSLPMC4RMC5RMC3RMC1R
SCHEMBL13881404 0.81 MC4R (0.51) TSLPMC4RMC5RMC3RMC1R
SCHEMBL13659874 0.75 MC4R (0.56) TSLPMC4RMC5RMC3RMC1R
SCHEMBL13870335 0.75 MC4R (0.55) TSLPMC4RMC5RMC3RMC1R

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-20080035243-A1 Covalent modification of metal surfaces INTEZYNE TECHNOLOGIES (US) 2008-02-14 — — 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 (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-20080035243-A1 Covalent modification of metal surfaces ITGAL, ITGA1, ITGA5 CHRNA10 2649/4885CHRNA9 3117/4885CHRNA7 2208/4885

“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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