SCHEMBL25967170

SCHEMBL25967170

CCOC(=O)c1ncc(C)nc1N1CCC2(CC1)CO[C@@H](C)[C@H]2NC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
P2RY12 Q9H244 1/20 0.33
RET P07949 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTR2C P28335 1/20 0.32
MTOR P42345 6/20 0.32
PTPN11 Q06124 2/20 0.32
TSHR P16473 1/20 0.32
OPRK1 P41145 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
JAK3 P52333 1/20 0.31
BTK Q06187 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL31013106 1.00 L3MBTL1 (0.33) L3MBTL1CKS1BSKP1SKP2P2RY12
SCHEMBL24879104 0.87 PTPN11 (0.33) L3MBTL1ALDH1A1PTPN11OPRK1
SCHEMBL21115128 0.86 PTPN11 (0.31) L3MBTL1ALDH1A1MTORPTPN11
SCHEMBL22584688 0.85 L3MBTL1 (0.40) L3MBTL1CKS1BSKP1SKP2RET
SCHEMBL23064011 0.85 PTPN11 (0.36) CKS1BSKP1SKP2PTPN11JAK3
SCHEMBL30511956 0.82 OPRK1 (0.36) L3MBTL1CKS1BSKP1SKP2P2RY12
SCHEMBL30296108 0.82 OPRK1 (0.36) L3MBTL1CKS1BSKP1SKP2P2RY12
SCHEMBL30511930 0.82 OPRK1 (0.36) L3MBTL1CKS1BSKP1SKP2P2RY12
SCHEMBL19785573 0.82 OPRK1 (0.36) L3MBTL1CKS1BSKP1SKP2P2RY12
SCHEMBL24879360 0.81 PTPN11 (0.36) CKS1BSKP1SKP2PTPN11JAK3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250109118-A1 HETEROCYCLIC COMPOUNDS AS SHP2 INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOMED HOLDINGS LTD. (KY) 2025-04-03 US disclosed
WO-2023122938-A1 HETEROCYCLIC COMPOUNDS AS SHP2 INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOMED HOLDINGS LTD. (KY) 2023-07-06 WO disclosed
WO-2023122938-A1 HETEROCYCLIC COMPOUNDS AS SHP2 INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF JS INNOMED HOLDINGS LTD. (KY) 2023-07-06 WO 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-20250109118-A1 HETEROCYCLIC COMPOUNDS AS SHP2 INHIBITORS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF PTPN1, PTPN5, PTPN13 L3MBTL1 3307/4885CKS1B 1032/4885SKP1 499/4885

“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.