SCHEMBL7224768

SCHEMBL7224768

C#CCC(NC(=O)OCc1ccccc1)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
PTPRB P23467 1/20 0.54
ACP1 P24666 1/20 0.54
ALDH1A1 P00352 2/20 0.52
RECQL P46063 1/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MMP8 P22894 1/20 0.43
CTSS P25774 2/20 0.42
SYK P43405 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL2297713 0.88 PTPN2 (0.54) PTPN2PTPN1PTPRBACP1ALDH1A1
SCHEMBL560509 0.82 PTPN2 (0.56) PTPN2PTPN1PTPRBACP1ALDH1A1
SCHEMBL560612 0.82 PTPN2 (0.56) PTPN2PTPN1PTPRBACP1ALDH1A1
SCHEMBL560561 0.81 PTPN2 (0.55) PTPN2PTPN1PTPRBACP1ALDH1A1
SCHEMBL560866 0.81 PTPN2 (0.58) PTPN2PTPN1PTPRBACP1ALDH1A1
SCHEMBL560507 0.80 PTPN2 (0.54) PTPN2PTPN1PTPRBACP1ALDH1A1
SCHEMBL3622630 0.80 PTPN2 (0.54) PTPN2PTPN1PTPRBACP1ALDH1A1
SCHEMBL560508 0.80 PTPN2 (0.54) PTPN2PTPN1PTPRBACP1ALDH1A1
SCHEMBL15056984 0.79 KMT2A (0.56) PTPN2PTPN1PTPRBACP1ALDH1A1
SCHEMBL560560 0.78 PTPN2 (0.53) PTPN2PTPN1PTPRBACP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6586442-B2 Benzofurane derivatives, their preparation process, their use as medicaments and the pharmaceutical compositions containing them CARNIATO DENIS (FR) 2003-07-01 US disclosed
US-20020187976-A1 New benzofurane derivatives, their preparation process, their use as medicaments and the pharmaceutical compositions containing them AVENTIS PHARMA S.A. 2002-12-12 US disclosed
US-6458801-B1 PHARMACEUTICALLY ACCEPTABLE SALTS AND ITS PRODRUG USEFUL FOR TREATING OSTEOPOROSIS. AVENTIS PHARMA S.A. (FR) 2002-10-01 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-20020187976-A1 New benzofurane derivatives, their preparation process, their use as medicaments and the pharmaceutical compositions containing them CYP2F1, CYP2C19, CYP2B6 PTPN2 4563/4885PTPN1 4144/4885PTPRB 3325/4885

“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.