SCHEMBL31247975

SCHEMBL31247975

C[C@@H](OC(C)(C)C)[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)OC(C)(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.41
▸ CTSS P25774 7/20 0.40
▸ CTSK P43235 6/20 0.40
▸ CTSB P07858 2/20 0.39
▸ CTSL P07711 1/20 0.39
▸ PSMB1 P20618 1/20 0.39
▸ PSMB8 P28062 1/20 0.39
▸ PSMB9 P28065 1/20 0.39
▸ PSMB5 P28074 1/20 0.39
▸ PSMB10 P40306 1/20 0.39
▸ PSMB2 P49721 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.38
▸ PSEN1 P49768 6/20 0.38
▸ PSEN2 P49810 6/20 0.38
▸ APH1B Q8WW43 6/20 0.38
▸ NCSTN Q92542 6/20 0.38
▸ APH1A Q96BI3 6/20 0.38
▸ PSENEN Q9NZ42 6/20 0.38
▸ ITGB3 P05106 1/20 0.37
▸ ITGA2B P08514 1/20 0.37

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
SCHEMBL30892072 0.95 PSEN1 (0.42) ABCB1CTSSCTSKCTSBCTSL
SCHEMBL30930720 0.93 ACE (0.42) ABCB1CTSSCTSKCTSBCTSL
SCHEMBL31501260 0.90 ABCB1 (0.41) ABCB1CTSSCTSKCTSBCTSL
SCHEMBL31247896 0.89 PSEN1 (0.40) ABCB1CTSSCTSKCTSBCTSL
SCHEMBL25607236 0.87 ABCB1 (0.47) ABCB1CTSSCTSKCTSBCTSL
SCHEMBL31247969 0.87 ABCB1 (0.40) ABCB1PSMB1PSMB8PSMB9PSMB5
SCHEMBL31247966 0.87 OPRM1 (0.40) ABCB1PSMB1PSMB8PSMB9PSMB5
SCHEMBL31296842 0.87 CCKBR (0.41) ABCB1PSEN1PSEN2APH1BNCSTN
SCHEMBL31247960 0.87 OPRD1 (0.40) ABCB1PSMB1PSMB8PSMB9PSMB5
SCHEMBL25607238 0.86 ABCB1 (0.46) ABCB1CTSSCTSKCTSBCTSL

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 ABCB1 2502/4885CTSS 4082/4885CTSK 2959/4885

“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.

Send feedback