SCHEMBL7184297

SCHEMBL7184297

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.44
▸ PTPN11 Q06124 4/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ PTPN6 P29350 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ XDH P47989 5/20 0.37
▸ RXRA P19793 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ THRA P10827 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ P2RX3 P56373 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
SCHEMBL7594052 0.90 KDM4E (0.45) KDM4EPTPN11PTPN1PTPN6HTT
SCHEMBL7193700 0.86 PTPN11 (0.55) KDM4EPTPN11PTPN1PTPN6HTT
SCHEMBL7185662 0.79 HTT (0.46) KDM4EHTTXDHALDH1A1
SCHEMBL7526137 0.77 ADRB3 (0.46) RXRA
SCHEMBL7594133 0.76 PTPN11 (0.55) KDM4EPTPN11PTPN1PTPN6HTT
SCHEMBL31135565 0.72 MTNR1A (0.45) KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL16355875 0.72 MTNR1A (0.45) KDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL7186778 0.71 GAK (0.36) KDM4EPTPN11PTPN1PTPN6HTT
SCHEMBL1851002 0.71 CA12 (0.56) RXRA
SCHEMBL7186784 0.70 ALDH1A1 (0.44) KDM4EPTPN11PTPN1PTPN6HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268494-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS Merck Frosst Canada & Co. (CA) 2003-01-02 — — EP disclosed
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
WO-2001070753-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-09-27 — — 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 (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 2275/4885PTPN11 23/4885PTPN1 13/4885

“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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