SCHEMBL13038609

SCHEMBL13038609

CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCCOCCn1cc(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 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA10 Q9GZZ6 2/20 0.55
▸ CHRNA9 Q9UGM1 2/20 0.55
▸ CHRNA7 P36544 1/20 0.55
▸ TSLP Q969D9 6/20 0.48
▸ NPR1 P16066 1/20 0.47
▸ NPR3 P17342 1/20 0.47
▸ TNFSF11 O14788 1/20 0.47
▸ BCL2L1 Q07817 1/20 0.46
▸ BAD Q92934 1/20 0.46
▸ F2RL1 P55085 2/20 0.46
▸ ALB P02768 1/20 0.46
▸ CSNK2A2 P19784 1/20 0.46
▸ CSNK2B P67870 1/20 0.46
▸ CSNK2A1 P68400 1/20 0.46
▸ CSNK2A3 Q8NEV1 1/20 0.46
▸ CTSG P08311 2/20 0.46
▸ KCNA3 P22001 1/20 0.46
▸ KCNA1 Q09470 1/20 0.46
▸ MC4R P32245 1/20 0.46
▸ MC3R P41968 1/20 0.46

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 0.83 CHRNA10 (0.55) CHRNA10CHRNA9CHRNA7TSLPMC4R
SCHEMBL13038593 0.83 ITGB3 (0.53) CHRNA10CHRNA9CHRNA7TSLPCTSG
SCHEMBL13074972 0.78 CHRNA7 (0.46) CHRNA10CHRNA9CHRNA7TSLPCTSG
SCHEMBL12146083 0.75 TSLP (0.56) TSLPCTSGMC4RMC3RMC1R
SCHEMBL12407327 0.74 CTSG (0.48) TSLPCTSGMC4RMC3RMC1R
SCHEMBL13430222 0.73 MC4R (0.49) TSLPCTSGMC4RMC3RMC1R
SCHEMBL10138562 0.73 ITGB3 (0.59) CHRNA10CHRNA9CHRNA7MC4RMC3R
SCHEMBL15397365 0.73 ITGB3 (0.59) CHRNA10CHRNA9CHRNA7MC4RMC3R
SCHEMBL18972610 0.73 F2RL1 (0.47) TSLPNPR1NPR3BCL2L1BAD
SCHEMBL13038608 0.73 MC4R (0.51) TSLPCTSGMC4RMC3RMC1R

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-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 CHRNA10 4528/4885CHRNA9 4223/4885CHRNA7 4014/4885

“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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