SCHEMBL7522247

SCHEMBL7522247

CC(C)Oc1cc(C(=O)OC(C)(C)C)cc(-c2ccc(CBr)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 9/20 0.41
▸ RXRA P19793 2/20 0.40
▸ RXRB P28702 2/20 0.40
▸ SLC13A5 Q86YT5 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.36
▸ SLC7A5 Q01650 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PTPN5 P54829 1/20 0.36
▸ MCL1 Q07820 1/20 0.35
▸ RXRG P48443 1/20 0.35

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
SCHEMBL1851002 0.79 CA12 (0.56) RXRARXRBCA12CA1CA2
SCHEMBL7530437 0.79 FFAR4 (0.42) FFAR4POLB
SCHEMBL1852479 0.77 SLC7A5 (0.49) RXRACA12CA1CA2CA9
SCHEMBL7526137 0.77 ADRB3 (0.46) RXRARXRBRXRG
SCHEMBL508555 0.74 CA1 (0.49) CA12CA1CA2CA9CA14
SCHEMBL30625924 0.72 KMT2A (0.52) RXRARXRBSLC7A5
SCHEMBL20241781 0.71 SLC7A5 (0.46) CA12CA1CA2CA9CA14
SCHEMBL15876193 0.71 SLC7A5 (0.46) CA12CA1CA2CA9CA14
SCHEMBL28992722 0.70 LOXL2 (0.46) CA12CA1CA2CA9CA14
SCHEMBL17230483 0.70 KMT2A (0.59) CA12CA1CA2CA9CA14

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 FFAR4 1613/4885RXRA 2868/4885RXRB 2028/4885

“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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