SCHEMBL7167994

SCHEMBL7167994

CC(C)(C)c1cc(CBr)ccc1C(O)(C(C)(C)C)P(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 4/20 0.33
FDPS P14324 3/20 0.33
TSHR P16473 3/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.32
PTPN5 P54829 1/20 0.32
HMGCR P04035 2/20 0.31
PTPN1 P18031 2/20 0.30
PTPN2 P17706 1/20 0.30
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL7164044 0.82 PGK1 (0.44) GAAMEN1KMT2APTPN5PTPN1
SCHEMBL6850280 0.72
SCHEMBL7160014 0.72 GGPS1 (0.31)
SCHEMBL9078912 0.72 GRB2 (0.39) GAAMEN1KMT2AALDH1A1TSHR
SCHEMBL7168011 0.71
SCHEMBL1854630 0.70 ALDH1A1 (0.55) GAAMEN1KMT2AALDH1A1TSHR
SCHEMBL901518 0.69 NR1H4 (0.41) GAAMEN1KMT2AALDH1A1TSHR
SCHEMBL13208381 0.66 KIF11 (0.36) GAAALDH1A1TSHRMAPTMAPK1
SCHEMBL6758819 0.66 PTPN7 (0.38) GAAMEN1KMT2AALDH1A1TSHR
SCHEMBL29000382 0.66 ALDH1A1 (0.38) GAAMEN1KMT2AALDH1A1TSHR

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-6583126-B2 Treating diabetes, obesity, and diabetes-related diseases. MERCK EROSST CANADA & CO. 2003-06-24 US disclosed
US-20020052344-A1 Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase IB (PTP-IB) MERCK FROSST CANADA LTD. (CA) 2002-05-02 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-20020052344-A1 Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase IB (PTP-IB) PTPRO, PTPRC, PPM1B GAA 158/4885MEN1 4699/4885KMT2A 4008/4885

“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.