SCHEMBL5998435

SCHEMBL5998435

CCOC(=O)C(C)NP(=O)(O)C(F)(F)c1cc[c]cc1Br

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 2/20 0.35
BTN3A1 O00481 6/20 0.35
EPHX2 P34913 2/20 0.33
PPARG P37231 2/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
TSHR P16473 1/20 0.32
MMP8 P22894 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.30
FBP1 P09467 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
SCHEMBL5517356 0.80 PTPN2 (0.40) PTPN2BTN3A1EPHX2PPARGKDM4E
SCHEMBL5507203 0.70 PTPN1 (0.33) PTPN2
SCHEMBL5507197 0.68 PTPN1 (0.33)
SCHEMBL27494852 0.66 MGAM (0.39) BTN3A1ALDH1A1HSD17B10FBP1
SCHEMBL12746431 0.65 BTN3A1 (0.39) BTN3A1ALDH1A1MMP8FBP1
SCHEMBL22837347 0.63 POLB (0.50) BTN3A1KDM4EPOLBALDH1A1TSHR
SCHEMBL20181544 0.63 MGAM (0.39) BTN3A1ALDH1A1HSD17B10FBP1
SCHEMBL28273778 0.63 MGAM (0.39) BTN3A1ALDH1A1HSD17B10FBP1
SCHEMBL26524316 0.63 BTN3A1 (0.54) BTN3A1KDM4EPOLBMAPTHSD17B10
SCHEMBL26558610 0.62 BTN3A1 (0.58) BTN3A1KDM4EPOLBALDH1A1TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060135483-A1 Oxygen/nitrogen heterocycle inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-06-22 US claimed

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 PTPN2 24/4885BTN3A1 753/4885EPHX2 1910/4885

“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.