SCHEMBL21168599

SCHEMBL21168599

CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21)[C@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)NCC(=O)NC(C(=O)N[C@H](CCCCN=[N+]=[N-])C(N)=O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 5/20 0.52
▸ AKT1 P31749 1/20 0.50
▸ TFPI P10646 1/20 0.50
▸ PSEN1 P49768 3/20 0.49
▸ PSEN2 P49810 3/20 0.49
▸ APH1B Q8WW43 3/20 0.49
▸ NCSTN Q92542 3/20 0.49
▸ APH1A Q96BI3 3/20 0.49
▸ PSENEN Q9NZ42 3/20 0.49
▸ MAFG O15525 1/20 0.49
▸ GCGR P47871 1/20 0.48
▸ IL23R Q5VWK5 4/20 0.47
▸ OPRM1 P35372 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ CASP3 P42574 2/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP2 P42575 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ CASP8 Q14790 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
SCHEMBL18790633 0.85 TFPI (0.60) GLP1RTFPIGCGR
SCHEMBL30439703 0.80 GLP1R (0.53) GLP1RAKT1MAFGGCGR
SCHEMBL18239361 0.80 AKT1 (0.54) GLP1RAKT1GCGR
SCHEMBL3805702 0.76 RAMP3 (0.55) TFPI
SCHEMBL22423719 0.75 RAMP3 (0.56) GLP1RTFPIGCGRIL23R
SCHEMBL22550672 0.75 GLP1R (0.54) GLP1RTFPIGCGRIL23ROPRM1
SCHEMBL30439960 0.74 C5AR1 (0.57) GLP1RGCGROPRM1OPRD1OPRK1
SCHEMBL30440029 0.74 C5AR1 (0.59) GLP1RAKT1IL23R
SCHEMBL30439872 0.74 C5AR1 (0.60) GLP1RGCGROPRD1
SCHEMBL30313496 0.74 CASP3 (0.47) GLP1RAKT1TFPIPSEN1PSEN2

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-20190216893-A1 COMPOSITIONS AND METHODS OF MODULATING IMMUNE RESPONSE THE SCRIPPS RESEARCH INSTITUTE 2019-07-18 — — 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-20190216893-A1 COMPOSITIONS AND METHODS OF MODULATING IMMUNE RESPONSE IFNG, MYD88, ICOS GLP1R 3752/4885AKT1 863/4885TFPI 3169/4885

“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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