SCHEMBL22256342

SCHEMBL22256342

CC(C)(C)OC(=O)COc1ccc(CC(N)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.54
ITGA2B P08514 2/20 0.54
PTPN1 P18031 5/20 0.52
SLC7A5 Q01650 5/20 0.51
PTGS1 P23219 2/20 0.47
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
XIAP P98170 1/20 0.47
GRB2 P62993 1/20 0.46
HDAC8 Q9BY41 2/20 0.44
TPH1 P17752 3/20 0.43
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
EGFR P00533 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ALOX15 P16050 1/20 0.42
HTR2A P28223 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL7454762 1.00 ITGB3 (0.54) ITGB3ITGA2BPTPN1SLC7A5PTGS1
SCHEMBL16355748 0.89 PTPN1 (0.48) ITGB3ITGA2BPTPN1SLC7A5HDAC8
SCHEMBL7298611 0.87 PTPN1 (0.47) ITGB3ITGA2BPTPN1HDAC8PTGS2
SCHEMBL8763598 0.87 PTPN1 (0.47) ITGB3ITGA2BPTPN1HDAC8PTGS2
SCHEMBL13141375 0.86 PTPN1 (0.50) ITGB3ITGA2BPTPN1HDAC8
SCHEMBL12042755 0.85 PTPN1 (0.52) ITGB3ITGA2BPTPN1HDAC8
SCHEMBL7099897 0.85 PTPN1 (0.52) ITGB3ITGA2BPTPN1HDAC8
SCHEMBL21689965 0.85 ITGB3 (0.58) ITGB3ITGA2BPTPN1SLC7A5PTGS1
SCHEMBL21690036 0.84 SLC7A5 (0.57) ITGB3ITGA2BPTPN1SLC7A5PTGS1
SCHEMBL14257829 0.84 SLC7A5 (0.57) ITGB3ITGA2BPTPN1SLC7A5PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118159549-A Immunomodulators 百时美施贵宝公司 2024-06-07 CN disclosed
CN-118076623-A Macrocyclic immunomodulators 百时美施贵宝公司 2024-05-24 CN disclosed
EP-4370530-A1 MACROCYCLIC IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2024-05-22 EP disclosed
CN-117940445-A Macrocyclic immunomodulators 百时美施贵宝公司 2024-04-26 CN disclosed
CN-117157306-A Immunomodulators 百时美施贵宝公司 2023-12-01 CN disclosed
WO-2023288213-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-19 WO disclosed
US-20200230133-A1 Discrete PEG Constructs EqIP, LLC (US) 2020-07-23 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-20200230133-A1 Discrete PEG Constructs MUC1, EGFR, LNPEP ITGB3 1886/4885ITGA2B 1586/4885PTPN1 2137/4885

“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.