SCHEMBL13007908

SCHEMBL13007908

C/C(=N/O)C(C)(C)CCCC(CCCC(=O)CCCC(=O)CCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)NCCCC[C@@H]1NC(=O)CSC[C@@H](C(=O)CCCOCCOCCOCCCC(=O)COCC(N)=O)NC(=O)[C@H](Cc2ccccc2)CC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)C[C@@H](CCCNC(=N)N)C(=O)NCC(=O)C[C@@H](CC(=O)O)C(=O)N2)CCNC(C)(C)/C(C)=N\O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 3/20 0.42
▸ ITGAV P06756 3/20 0.42
▸ MC4R P32245 4/20 0.36
▸ MC5R P33032 4/20 0.36
▸ MC3R P41968 4/20 0.36
▸ MC1R Q01726 4/20 0.36
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ TSLP Q969D9 10/20 0.33
▸ CTSG P08311 2/20 0.33
▸ ITGB1 P05556 1/20 0.33
▸ ITGA5 P08648 1/20 0.33

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
SCHEMBL10015503 0.98 ITGB3 (0.41) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL10015498 0.97 ITGB3 (0.40) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL10015492 0.93 ITGB3 (0.38) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL10015485 0.92 ITGB3 (0.36) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL10015489 0.90 TSLP (0.38) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL13007903 0.90 KEAP1 (0.35) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL10015507 0.89 MC4R (0.36) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL10015490 0.88 TSLP (0.38) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL10015501 0.86 ITGB3 (0.47) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL12918070 0.86 ITGB3 (0.47) ITGB3ITGAVMC4RMC5RMC3R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8834843-B2 Imaging method GE HEALTHCARE LIMITED (GB) 2014-09-16 — — US disclosed
US-20100316565-A1 NOVEL IMAGING METHOD GE HEALTHCARE LIMITED (GB) 2010-12-16 — — 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-20100316565-A1 NOVEL IMAGING METHOD FABP1, SLC10A1, GLS2 ITGB3 1382/4885ITGAV 1505/4885MC4R 3425/4885

“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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