SCHEMBL13038593

SCHEMBL13038593

CCCn1cc(CCC(=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 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.53
▸ ITGB1 P05556 1/20 0.53
▸ ITGAV P06756 1/20 0.53
▸ ITGA5 P08648 1/20 0.53
▸ MC4R P32245 9/20 0.51
▸ MC5R P33032 9/20 0.51
▸ MC3R P41968 9/20 0.51
▸ MC1R Q01726 9/20 0.51
▸ TSLP Q969D9 7/20 0.51
▸ PLAU P00749 1/20 0.49
▸ CTSG P08311 1/20 0.49
▸ CHRNA7 P36544 1/20 0.49
▸ CHRNA10 Q9GZZ6 1/20 0.49
▸ CHRNA9 Q9UGM1 1/20 0.49

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
SCHEMBL14274987 0.92 CHRNA10 (0.55) ITGB3ITGB1ITGAVITGA5MC4R
SCHEMBL12146083 0.89 TSLP (0.56) MC4RMC5RMC3RMC1RTSLP
SCHEMBL13074972 0.87 CHRNA7 (0.46) ITGB3ITGB1ITGAVITGA5MC4R
SCHEMBL13038608 0.84 MC4R (0.51) ITGB3MC4RMC5RMC3RMC1R
SCHEMBL13881404 0.84 MC4R (0.51) ITGB3MC4RMC5RMC3RMC1R
SCHEMBL13038609 0.83 CHRNA10 (0.55) MC4RMC3RMC1RTSLPCTSG
SCHEMBL10138562 0.80 ITGB3 (0.59) ITGB3ITGB1ITGAVITGA5MC4R
SCHEMBL15397365 0.80 ITGB3 (0.59) ITGB3ITGB1ITGAVITGA5MC4R
SCHEMBL12463308 0.79 ITGB3 (0.57) ITGB3ITGB1ITGAVITGA5MC4R
SCHEMBL13319649 0.77 CTSG (0.69) TSLPPLAUCTSG

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-20100278932-A1 POLYMER MICELLES CONTAINING SN-38 FOR THE TREATMENT OF CANCER INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2010-11-04 — — US disclosed
US-20100278932-A1 POLYMER MICELLES CONTAINING SN-38 FOR THE TREATMENT OF CANCER INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2010-11-04 — — 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-20100278932-A1 POLYMER MICELLES CONTAINING SN-38 FOR THE TREATMENT OF CANCER MUC1, MSN, SNX9 ITGB3 2733/4885ITGB1 3151/4885ITGAV 2635/4885

“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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