SCHEMBL2116204

SCHEMBL2116204

O=C(Oc1ccccc1)c1ccc2c(c1)C1C=CCC1C(C(=O)O)N2

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 14/20 0.85
HSPA1A P0DMV8 12/20 0.85
GAPDH P04406 8/20 0.85
HSPA8 P11142 2/20 0.85
MASP2 O00187 3/20 0.71
CDC25B P30305 2/20 0.71
CD44 P16070 1/20 0.71
PTPN1 P18031 1/20 0.71
MSN P26038 1/20 0.71
AKT1 P31749 1/20 0.71
EZH2 Q15910 1/20 0.71
POLB P06746 7/20 0.70
KMT2A Q03164 7/20 0.70
MEN1 O00255 6/20 0.70
L3MBTL1 Q9Y468 5/20 0.70
ALDH1A1 P00352 4/20 0.70
BLM P54132 4/20 0.70
MCL1 Q07820 3/20 0.70
MAPT P10636 3/20 0.70
HPGD P15428 3/20 0.70

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
SCHEMBL5997359 0.92 PTPN7 (1.00) PTPN7HSPA1AGAPDHHSPA8MASP2
SCHEMBL12768062 0.84 PTPN7 (1.00) PTPN7HSPA1AGAPDHHSPA8MASP2
SCHEMBL29415450 0.84 PTPN7 (1.00) PTPN7HSPA1AGAPDHHSPA8MASP2
SCHEMBL2808722 0.84 PTPN7 (1.00) PTPN7HSPA1AGAPDHHSPA8MASP2
SCHEMBL1066515 0.83 PTPN7 (1.00) PTPN7HSPA1AGAPDHHSPA8MASP2
SCHEMBL13856706 0.83 PTPN7 (1.00) PTPN7HSPA1AGAPDHHSPA8MASP2
SCHEMBL12768070 0.82 PTPN7 (1.00) PTPN7HSPA1AGAPDHHSPA8MASP2
SCHEMBL29954899 0.82 POLB (1.00) PTPN7HSPA1AGAPDHHSPA8MASP2
SCHEMBL16706084 0.82 POLB (1.00) PTPN7HSPA1AGAPDHHSPA8MASP2
SCHEMBL13856681 0.81 PTPN7 (1.00) PTPN7HSPA1AGAPDHHSPA8MASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2012-04-19 US disclosed
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2012-04-19 US disclosed
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 US disclosed
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 US disclosed
US-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-04-23 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 (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-20090105240-A1 Methods for treating leukemia and myelodysplastic syndrome, and methods for identifying agents for treating same MCL1, AS3MT, MYADM PTPN7 1828/4885HSPA1A 2298/4885GAPDH 281/4885
US-20120095032-A1 METHODS FOR TREATING LEUKEMIA AND MYELODYSPLASTIC SYNDROME, AND METHODS FOR IDENTIFYING AGENTS FOR TREATING SAME MCL1, AS3MT, MYADM PTPN7 1828/4885HSPA1A 2298/4885GAPDH 281/4885

“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.