SCHEMBL4480497

SCHEMBL4480497

COC(=O)c1ncc(OC)o1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
CES1 P23141 2/20 0.37
FAAH O00519 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL2884081 0.84 SIRT6 (0.36) MAPK1CES1FAAHKDM4EALDH1A1
SCHEMBL5268415 0.82 SIRT6 (0.32) FAAHKDM4E
SCHEMBL1536342 0.82 CA1 (0.44) MAPK1KDM4EALDH1A1NPSR1CA1
SCHEMBL5212245 0.81 SIRT6 (0.42) MAPK1KDM4EALDH1A1CA1CA2
SCHEMBL2141020 0.78 MAPK1 (0.43) MAPK1CES1FAAHKDM4EALDH1A1
SCHEMBL23860306 0.77 FAAH (0.40) MAPK1CES1FAAHKDM4EALDH1A1
SCHEMBL5272991 0.76 ERCC5 (0.40) CES1FAAH
SCHEMBL5268772 0.76 FAAH (0.35) CES1FAAH
SCHEMBL5269847 0.75 CLK1 (0.33)
SCHEMBL27168903 0.73 FAAH (0.40) MAPK1CES1FAAHHTT

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-115819366-B Preparation method of 2-aroyl substituted oxazole compound and compound prepared by same 重庆医科大学 2024-05-24 CN disclosed
US-7598264-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
US-20070179196-A1 Hiv integrase inhibitors MERCK SHARP & DOHME CORP. 2007-08-02 US disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1725556-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2006-11-29 EP disclosed
WO-2005087768-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-09-22 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 (2 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 MAPK1 107/4885CES1 1897/4885FAAH 1657/4885
US-20070179196-A1 Hiv integrase inhibitors REV1, TYMP, POLR2H MAPK1 855/4885CES1 1877/4885FAAH 3913/4885

“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.