SCHEMBL5508634

SCHEMBL5508634

CC(C)(C)C(=O)OCOP(=O)(O)C(F)(F)c1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
BTN3A1 O00481 7/20 0.39
ENO1 P06733 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTPN2 P17706 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
ABCB11 O95342 1/20 0.32
POLA1 P09884 1/20 0.32
POLG P54098 1/20 0.32
FAP Q12884 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
PTPN1 P18031 1/20 0.32

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
SCHEMBL26895329 0.77 PTPN1 (0.53) ALDH1A1BTN3A1PTPN2PTPN1
SCHEMBL5499846 0.76 ALDH1A1 (0.42) ALDH1A1BTN3A1ENO1L3MBTL1PTPN2
SCHEMBL7620482 0.76 PTPN1 (0.69) BTN3A1PTPN2PTPN1
SCHEMBL5503555 0.75 CA1 (0.42) L3MBTL1PTPN2SMN1; SMN2CA1CA2
SCHEMBL16525900 0.75 PTPN1 (0.63) ALDH1A1BTN3A1PTPN2PTPN1
SCHEMBL26323422 0.75 BTN3A1 (0.44) ALDH1A1BTN3A1ENO1ABCB11POLA1
SCHEMBL16525906 0.74 PTPN1 (0.46) PTPN2PTPN1
SCHEMBL16522160 0.73 PTPN1 (0.66) ALDH1A1BTN3A1PTPN2PTPN1
SCHEMBL25539554 0.69 PTPN2 (0.45) ALDH1A1PTPN2PTPN1
SCHEMBL31619484 0.69 PIN1 (0.46) ALDH1A1L3MBTL1PTPN2CA1CA2

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-1786421-A2 OXYGEN/NITROGEN HETEROCYCLE INHIBITORS OF TYROSINE PHOSPHATASES Cengent Therapeutics, Inc. (US) 2007-05-23 EP claimed
US-20060135483-A1 Oxygen/nitrogen heterocycle inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-06-22 US claimed
WO-2006017124-A2 OXYGEN/NITROGEN HETEROCYCLE INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-02-16 WO claimed
US-20060135483-A1 Oxygen/nitrogen heterocycle inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-06-22 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-20060135483-A1 Oxygen/nitrogen heterocycle inhibitors of tyrosine phosphatases PTPRO, PTPRG, PTPN1 ALDH1A1 1227/4885BTN3A1 753/4885ENO1 894/4885

“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.