SCHEMBL7561788

SCHEMBL7561788

CC(C)(C)OC(=O)Nc1cc(O)ccc1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CAMK2A Q9UQM7 6/20 0.49
▸ NQO2 P16083 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ MIF P14174 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ EGFR P00533 2/20 0.38
▸ BRD4 O60885 1/20 0.38

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
SCHEMBL1162806 0.85 KCNQ4 (0.44) NR1H4PTGDR2RXFP1BRD4
SCHEMBL1162987 0.81 NR1H4 (0.58) NR1H4RXFP1
SCHEMBL30619395 0.81 NR1H4 (0.58) NR1H4RXFP1
SCHEMBL24362149 0.81 HPGD (0.47) NQO2MIFRXFP1
SCHEMBL29618957 0.81 HPGD (0.47) NQO2MIFRXFP1
SCHEMBL11346674 0.80 NQO2 (0.47) CAMK2ANQO2EGFR
SCHEMBL24253781 0.78 NQO2 (0.45) NQO2MIFRXFP1EGFR
SCHEMBL31470226 0.78 CYP3A4 (0.45) NQO2MIFRXFP1
SCHEMBL13636106 0.78 CYP3A4 (0.45) NQO2MIFRXFP1
SCHEMBL28736190 0.78 NR1H4 (0.45) NQO2NR1H4PTGDR2RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002068428-A1 METHOD OF PREPARING CEPHALOSPORINS USING 4-HYDROXYPHENYLGLYCINE DERIVATIVES HANMI PHARM. CO., LTD. (KR) 2002-09-06 — — WO disclosed
US-20020120136-A1 Method of preparing cephalosporins using 4-hydroxyphenylglycine derivatives HANMI PHARM. CO., LTD. (KR) 2002-08-29 — — 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-20020120136-A1 Method of preparing cephalosporins using 4-hydroxyphenylglycine derivatives GYPA, PEPD, HPD CAMK2A 4218/4885NQO2 1038/4885NR1H4 2534/4885

“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.

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