SCHEMBL31247874

SCHEMBL31247874

C[C@@H](OC(C)(C)C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)OC(C)(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.46
▸ GRB2 P62993 1/20 0.41
▸ OPRM1 P35372 2/20 0.37
▸ OPRD1 P41143 2/20 0.37
▸ OPRK1 P41145 2/20 0.37
▸ PSEN1 P49768 4/20 0.36
▸ PSEN2 P49810 4/20 0.36
▸ APH1B Q8WW43 4/20 0.36
▸ NCSTN Q92542 4/20 0.36
▸ APH1A Q96BI3 4/20 0.36
▸ PSENEN Q9NZ42 4/20 0.36

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
SCHEMBL31247891 0.95 PTPN1 (0.44) PTPN1GRB2OPRM1OPRD1OPRK1
SCHEMBL31247949 0.93 PTPN1 (0.44) PTPN1GRB2OPRM1OPRD1OPRK1
SCHEMBL38652069 0.92 PTPN1 (0.42) PTPN1GRB2OPRM1OPRD1OPRK1
SCHEMBL30053792 0.91 PTPN1 (0.47) PTPN1GRB2
SCHEMBL30892072 0.91 PSEN1 (0.42) OPRM1OPRD1OPRK1PSEN1PSEN2
SCHEMBL30930720 0.87 ACE (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30384997 0.87 PTPN1 (0.47) PTPN1
SCHEMBL31501260 0.87 ABCB1 (0.41) OPRM1OPRD1OPRK1PSEN1PSEN2
SCHEMBL31247975 0.86 ABCB1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31247896 0.86 PSEN1 (0.40) OPRM1OPRD1OPRK1PSEN1PSEN2

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-20240400613-A1 GLP-1/GIP DUAL AGONISTS SUN PHARMACEUTICAL IND LTD (IN) 2024-12-05 — — 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-20240400613-A1 GLP-1/GIP DUAL AGONISTS GLP1R, GIPR, GPR119 PTPN1 554/4885GRB2 574/4885OPRM1 1484/4885

“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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