SCHEMBL7526137

SCHEMBL7526137

CC(C)Oc1cc(-c2ccc(CBr)cc2)ccc1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 18/20 0.46
▸ ADRB1 P08588 11/20 0.46
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ RXRG P48443 1/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40

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
SCHEMBL7530437 0.82 FFAR4 (0.42) —
SCHEMBL7522247 0.77 FFAR4 (0.41) RXRARXRBRXRG
SCHEMBL7184297 0.77 KDM4E (0.44) RXRA
SCHEMBL16423275 0.75 ALDH1A1 (0.43) ADRB3ADRB1MKNK1MKNK2
SCHEMBL2770553 0.75 ADRB3 (0.43) ADRB3ADRB1
SCHEMBL14860053 0.75 MTNR1A (0.45) —
SCHEMBL28428155 0.74 CYP4F2 (0.42) RXRA
SCHEMBL1851002 0.74 CA12 (0.56) RXRARXRB
SCHEMBL283 0.74 SLC6A3 (0.48) —
SCHEMBL1852479 0.73 SLC7A5 (0.49) RXRA

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
US-6486141-B2 TREATING OR PREVENTING PTP-1B MEDIATED DISEASES, INCLUDING DIABETES, OBESITY, AND DIABETES-RELATED CONDITIONS. MERCK FROSST CANADA & CO. (CA) 2002-11-26 — — US disclosed
EP-1244677-A1 PHOSPHONIC ACID BIARYL DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) MERCK FROSST CANADA INC. (CA) 2002-10-02 — — EP disclosed
US-20020052346-A1 Phosphonic acid biaryl derivatives as inhibitors of protein tyrosine phosphatase 1B (PTP-1B) MERCK FROSST CANADA LTD. (CA) 2002-05-02 — — US disclosed
WO-2001046203-A1 PHOSPHONIC ACID BIARYL DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) MERCK FROSST CANADA & CO. (CA) 2001-06-28 — — 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-20020052346-A1 Phosphonic acid biaryl derivatives as inhibitors of protein tyrosine phosphatase 1B (PTP-1B) PTPRO, PPM1B, PTPA ADRB3 3081/4885ADRB1 2380/4885RXRA 2868/4885

“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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