SCHEMBL7539043

SCHEMBL7539043

CC(C)COc1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.61
ITGA2B P08514 1/20 0.61
ACACB O00763 6/20 0.56
SLC7A5 Q01650 3/20 0.56
PTPN1 P18031 1/20 0.55
PTGS1 P23219 2/20 0.54
ALPI P09923 1/20 0.54
PKM P14618 1/20 0.54
XIAP P98170 1/20 0.54
MAPT P10636 2/20 0.48
TPH1 P17752 3/20 0.48
GRB2 P62993 1/20 0.48
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
EGFR P00533 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ALOX15 P16050 1/20 0.47
HTR2A P28223 1/20 0.47

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
SCHEMBL7539052 1.00 ITGB3 (0.61) ITGB3ITGA2BACACBSLC7A5PTPN1
SCHEMBL27564837 0.85 ACACB (0.56) ITGB3ITGA2BACACBMAPTPTGS2
SCHEMBL13997783 0.85 ITGB3 (0.58) ITGB3ITGA2BSLC7A5PTPN1PTGS1
SCHEMBL12710423 0.85 ITGB3 (0.66) ITGB3ITGA2BACACBSLC7A5PTPN1
SCHEMBL158880 0.84 ITGB3 (0.64) ITGB3ITGA2BACACBSLC7A5PTPN1
SCHEMBL158881 0.84 ITGB3 (0.64) ITGB3ITGA2BACACBSLC7A5PTPN1
SCHEMBL2036599 0.84 ITGB3 (0.64) ITGB3ITGA2BACACBSLC7A5PTPN1
Hydrochloric Acid SCHEMBL16816435 0.84 ITGB3 (0.64) ITGB3ITGA2BSLC7A5PTPN1PTGS1
Hydrochloric Acid SCHEMBL16816432 0.84 ITGB3 (0.64) ITGB3ITGA2BSLC7A5PTPN1PTGS1
SCHEMBL27654977 0.83 ITGB3 (0.77) ITGB3ITGA2BSLC7A5PTPN1PTGS1

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
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP claimed
US-9751844-B2 Precursor compound connected to solid support for manufacturing 18F radiopharmaceutical, method for manufacturing same, and application thereof FUTURECHEM CO., LTD. (KR) 2017-09-05 US disclosed
US-20140011961-A1 PRECURSOR COMPOUND CONNECTED TO SOLID SUPPORT FOR MANUFACTURING 18F RADIOPHARMACEUTICAL, METHOD FOR MANUFACTURING SAME, AND APPLICATION THEREOF FUTURECHEM CO., LTD. (KR) 2014-01-09 US disclosed
EP-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 EP disclosed
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
CN-1112125-A Acyloxyhexanoic acid derivatives CIBA GEIGY AG (CH) 1995-11-22 CN disclosed
EP-0618222-A2 Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid CIBA-GEIGY AG (CH) 1994-10-05 EP 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-20140011961-A1 PRECURSOR COMPOUND CONNECTED TO SOLID SUPPORT FOR MANUFACTURING 18F RADIOPHARMACEUTICAL, METHOD FOR MANUFACTURING SAME, AND APPLICATION THEREOF PFAS, RFT1, AFF1 ITGB3 2481/4885ITGA2B 1621/4885ACACB 1039/4885

“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.