SCHEMBL6748058

SCHEMBL6748058

[CH2]c1ccc(NC(=O)c2ccc(F)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.73
MITF O75030 1/20 0.71
RAB9A P51151 4/20 0.68
NPC1 O15118 3/20 0.68
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
POLB P06746 2/20 0.65
ATM Q13315 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
SNCA P37840 1/20 0.63
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
PTPN6 P29350 1/20 0.58
PTPN11 Q06124 1/20 0.58
KCNQ3 O43525 1/20 0.57
KCNQ2 O43526 1/20 0.57
KCNE1 P15382 1/20 0.57
KCNQ1 P51787 1/20 0.57
BACE1 P56817 1/20 0.57

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
SCHEMBL96329 1.00 PTPN1 (0.73) PTPN1MITFRAB9ANPC1MEN1
SCHEMBL10684470 0.90 PTPN1 (0.88) PTPN1MITFRAB9ANPC1MEN1
SCHEMBL8770854 0.85 PTPN1 (0.79) PTPN1MITFRAB9ANPC1MEN1
SCHEMBL8768807 0.85 MEN1 (0.86) PTPN1MITFRAB9ANPC1MEN1
SCHEMBL95290 0.84 MEN1 (0.54) PTPN1MITFRAB9ANPC1MEN1
SCHEMBL2415708 0.83 PTPN1 (0.76) PTPN1MITFRAB9ANPC1MEN1
SCHEMBL4635501 0.83 MITF (1.00) PTPN1MITFRAB9ANPC1MEN1
SCHEMBL3639776 0.83 MITF (1.00) PTPN1MITFRAB9ANPC1MEN1
SCHEMBL4491689 0.83 PTPN1 (0.76) PTPN1MITFRAB9ANPC1MEN1
SCHEMBL14433920 0.82 PTPN1 (0.69) PTPN1MITFRAB9ANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110665-A1 Desleucyl glycopeptide antibiotics and methods of making same KAHNE DANIEL (US) 2004-06-10 US disclosed
US-6699836-B2 Vancomycin analogs THE TRUSTEES OF PRINCETON UNIVERSITY 2004-03-02 US disclosed
EP-0667353-B1 Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2003-10-29 EP disclosed
EP-1016670-B1 Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2003-09-03 EP disclosed
US-6518243-B1 Desleucyl glycopeptide antibiotics and methods of making same TRUSTEES OF PRINCETON UNIVERSITY 2003-02-11 US disclosed
EP-1173193-A4 DESLEUCYL GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF MAKING SAME UNIV PRINCETON (US) 2003-01-29 EP disclosed
US-20020042365-A1 Vancomycin analogs TRUSTEES OF PRINCETON UNIVERSITY, THE 2002-04-11 US disclosed
EP-1173193-A1 DESLEUCYL GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF MAKING SAME The Trustees of Princeton University (US) 2002-01-23 EP disclosed
CN-1071334-C Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2001-09-19 CN disclosed
WO-2000059528-A1 DESLEUCYL GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF MAKING SAME THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2000-10-12 WO disclosed
EP-1016670-A1 Glycopeptide antibiotic derivatives ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
US-5977062-A ACTIVE AGAINST ANTIBIOTIC RESISTANT BACTERIA ELI LILLY AND COMPANY (US) 1999-11-02 US disclosed
CN-1119649-A Glycopeptide antibiotic derivatives LILLY CO ELI (US) 1996-04-03 CN 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 (2 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-20040110665-A1 Desleucyl glycopeptide antibiotics and methods of making same FUT6, FUT5, ST6GAL1 PTPN1 3186/4885MITF 3805/4885RAB9A 1400/4885
US-20020042365-A1 Vancomycin analogs VNN1, PTMS, ASNS PTPN1 1447/4885MITF 3881/4885RAB9A 3245/4885

“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.