SCHEMBL7594052

SCHEMBL7594052

CC(C)CCOc1ccc(-c2ccc(CO)cc2)cc1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.45
▸ HTT P42858 1/20 0.41
▸ PTPN11 Q06124 2/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ PTPN6 P29350 1/20 0.40
▸ XDH P47989 6/20 0.38
▸ RXRA P19793 1/20 0.37
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ GPR119 Q8TDV5 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
SCHEMBL7184297 0.90 KDM4E (0.44) KDM4EHTTPTPN11PTPN1PTPN6
SCHEMBL7594133 0.84 PTPN11 (0.55) KDM4EHTTPTPN11PTPN1PTPN6
SCHEMBL7185662 0.80 HTT (0.46) KDM4EHTTXDHALDH1A1
SCHEMBL7193700 0.75 PTPN11 (0.55) KDM4EHTTPTPN11PTPN1PTPN6
SCHEMBL30206724 0.71 ALOX15 (0.48) RXRANR1H2NR1H3P2RX3
SCHEMBL19655515 0.71 ALOX15 (0.48) RXRANR1H2NR1H3P2RX3
SCHEMBL30394978 0.71 MTNR1A (0.46) KDM4EHTTALDH1A1
SCHEMBL4603006 0.70 PTPN11 (0.65) PTPN11PTPN1PTPN6
SCHEMBL7263006 0.70 PTGDR2 (0.39) KDM4EHTTNR1H2ALDH1A1
SCHEMBL31047974 0.70 CA12 (0.58) SMN1; SMN2GPR119

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
US-6498151-B2 PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-12-24 — — US disclosed
US-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors MERCK FROSST CANADA LTD. (CA) 2002-07-11 — — 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-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors PTPRF, PTPRS, PTPRO KDM4E 2275/4885HTT 1549/4885PTPN11 23/4885

“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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