SCHEMBL4003543

SCHEMBL4003543

CCOc1ccc(Br)c(C(O)P(=O)(OCC)OCC)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.48
▸ GAA P10253 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ PTPN2 P17706 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ NQO1 P15559 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ PLK1 P53350 1/20 0.36

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
SCHEMBL3743024 0.85 THRA (0.41) KDM4EALDH1A1HPGDTP53AKR1C3
SCHEMBL6741564 0.77 MEN1 (0.47) KDM4EALDH1A1HPGDTP53AKR1C3
SCHEMBL6745102 0.77 MEN1 (0.47) KDM4EALDH1A1HPGDTP53AKR1C3
SCHEMBL2694270 0.76 POLB (0.43) POLBGAAL3MBTL1PTPN2PTPN1
SCHEMBL5396797 0.73 POLB (0.47) POLBGAAL3MBTL1ALDH1A1PTPN2
SCHEMBL3741538 0.72 MEN1 (0.47) POLBGAAL3MBTL1KDM4EALDH1A1
SCHEMBL4006093 0.71 KDM4E (0.46) KDM4EALDH1A1HPGDTP53AKR1C2
SCHEMBL16955896 0.70 NQO1 (0.45) KDM4EALDH1A1HPGDTP53AKR1C3
SCHEMBL16956955 0.70 NQO1 (0.41) KDM4EALDH1A1HPGDTP53AKR1C3
SCHEMBL7166722 0.69 POLB (0.82) POLBGAAL3MBTL1ALDH1A1HPGD

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-7504389-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR, INC. (US) 2009-03-17 — — US disclosed
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof FALCON TECHNOLOGY PARTNERS L.P. 2006-06-29 — — 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-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 POLB 2599/4885GAA 214/4885L3MBTL1 2399/4885

“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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