Sugi Predict

Sugi Predict / Compounds / SCHEMBL15835693

SCHEMBL15835693

SCHEMBL15835693

CCNc1cc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 4/20 0.77
▸ MET P08581 1/20 0.77
▸ NQO2 P16083 1/20 0.77
▸ FECH P22830 1/20 0.77
▸ CLK3 P49761 1/20 0.77
▸ HDAC3 O15379 2/20 0.74
▸ HDAC4 P56524 2/20 0.74
▸ HDAC1 Q13547 2/20 0.74
▸ HDAC7 Q8WUI4 2/20 0.74
▸ HDAC2 Q92769 2/20 0.74
▸ HDAC10 Q969S8 2/20 0.74
▸ HDAC11 Q96DB2 2/20 0.74
▸ HDAC8 Q9BY41 2/20 0.74
▸ HDAC6 Q9UBN7 2/20 0.74
▸ HDAC9 Q9UKV0 2/20 0.74
▸ HDAC5 Q9UQL6 2/20 0.74
▸ CYP1A1 P04798 3/20 0.39
▸ CYP1B1 Q16678 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 1/20 0.39

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
SCHEMBL16366467 0.91 PLK1 (0.74) PLK1METNQO2FECHCLK3
SCHEMBL1122955 0.88 PLK1 (0.72) PLK1METNQO2FECHCLK3
SCHEMBL1122953 0.88 PLK1 (0.72) PLK1METNQO2FECHCLK3
SCHEMBL18437665 0.88 PLK1 (0.72) PLK1METNQO2FECHCLK3
SCHEMBL18437666 0.88 PLK1 (0.72) PLK1METNQO2FECHCLK3
Rigosertib SCHEMBL29397572 0.87 PLK1 (1.00) PLK1METNQO2FECHCLK3
Rigosertib SCHEMBL498624 0.87 PLK1 (1.00) PLK1METNQO2FECHCLK3
SCHEMBL498447 0.87 PLK1 (0.84) PLK1METNQO2FECHCLK3
SCHEMBL498448 0.87 PLK1 (0.84) PLK1METNQO2FECHCLK3
Rigosertib SCHEMBL498623 0.87 PLK1 (1.00) PLK1METNQO2FECHCLK3

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
WO-2014204856-A1 FATTY ACID ANTICANCER DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2014-12-24 — — WO disclosed
US-20140315834-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF INFLAMMATION-RELATED DISORDERS, PAIN AND FEVER, SKIN DISORDERS, CANCER AND PRECANCEROUS CONDITIONS THEREOF MEDICON PHARMACEUTICALS, INC. (US) 2014-10-23 — — US disclosed
US-20140178461-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN THE TREATMENT AND PREVENTION OF LUNG AND BRAIN CANCER AND PRECANCEROUS CONDITIONS THEREOF MEDICON PHARMACEUTICALS, INC. 2014-06-26 — — 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-20140178461-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN THE TREATMENT AND PREVENTION OF LUNG AND BRAIN CANCER AND PRECANCEROUS CONDITIONS THEREOF CHAT, PYGB, KEAP1 PLK1 576/4885MET 1182/4885NQO2 371/4885
US-20140315834-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF INFLAMMATION-RELATED DISORDERS, PAIN AND FEVER, SKIN DISORDERS, CANCER AND PRECANCEROUS CONDITIONS THEREOF HMGB1, PTGES, FDPS PLK1 2083/4885MET 1136/4885NQO2 1872/4885

“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.