SCHEMBL2840173

SCHEMBL2840173

C=Cc1c(OC)cc(OC)cc1OC.COc1ccc(C=S(=O)=O)cc1NCC(=O)O.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.52
MET P08581 1/20 0.52
NQO2 P16083 1/20 0.52
FECH P22830 1/20 0.52
CLK3 P49761 1/20 0.52
HDAC4 P56524 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC3 O15379 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PTGS2 P35354 8/20 0.37
PTGS1 P23219 2/20 0.37

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
SCHEMBL4291886 0.83 PTGS2 (0.36) PLK1METNQO2FECHCLK3
SCHEMBL6248594 0.82 APP (0.46) PLK1METNQO2FECHCLK3
SCHEMBL4295871 0.82 PTGS2 (0.37) PLK1METNQO2FECHCLK3
SCHEMBL4295651 0.82 PTGS2 (0.37) PLK1METNQO2FECHCLK3
SCHEMBL827525 0.79 KMT2A (0.37) LMNAMAPTPTGS2NPSR1ALDH1A1
SCHEMBL6260996 0.79 KMT2A (0.37) LMNAMAPTPTGS2NPSR1ALDH1A1
SCHEMBL1634113 0.78 LMNA (0.44) HDAC4HDAC1HDAC6HDAC3HDAC7
SCHEMBL499030 0.78 ALOX5 (0.51) NQO2MAPTCYP1A1CYP1B1ALDH1A1
SCHEMBL4627782 0.78 CYP1A1 (0.40) LMNAPTGS2PTGS1CYP1A1CYP1B1
SCHEMBL1635863 0.75 PTGS2 (0.37) LMNAMAPTPTGS2PTGS1CYP1A1

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-8664272-B2 Composition and methods for the treatment of myelodysplastic syndrome and acute myeloid leukemia Temple University—Of the Commonwealth System of Higher Education (US) 2014-03-04 US disclosed
US-20100305059-A1 COMPOSITION AND METHODS FOR THE TREATMENT OF MYELODYSPLASTIC SYNDROME AND ACUTE MYELOID LEUKEMIA TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-12-02 US disclosed
WO-2006104668-A2 COMPOSITION AND METHODS FOR THE TREATMENT OF PROLIFERATIVE DISEASES TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2006-10-05 WO 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-20100305059-A1 COMPOSITION AND METHODS FOR THE TREATMENT OF MYELODYSPLASTIC SYNDROME AND ACUTE MYELOID LEUKEMIA DNMT3A, TET2, MCL1 PLK1 1774/4885MET 185/4885NQO2 1285/4885

“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.