SCHEMBL429956

SCHEMBL429956

O=CNS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
CCR2 P41597 3/20 0.47
KCNH2 Q12809 1/20 0.42
PIK3CB P42338 1/20 0.42
AKR1B1 P15121 1/20 0.41
AHR P35869 1/20 0.40
LMNA P02545 1/20 0.39
PIK3CD O00329 1/20 0.39
BRD4 O60885 2/20 0.39
CXCR4 P61073 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KAT6A Q92794 1/20 0.37
TBXA2R P21731 1/20 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
SCHEMBL427882 0.82 RXFP1 (0.48) LMNABRD4ALDH1A1
SCHEMBL14247451 0.77 POLB (0.44) POLBCCR2KCNH2PIK3CBAKR1B1
SCHEMBL426958 0.77 KAT6A (0.47) ALDH1A1KAT6A
SCHEMBL30902183 0.77 POLB (0.50) POLBCCR2KCNH2PIK3CBAKR1B1
SCHEMBL2371266 0.77 CCR2 (0.53) POLBCCR2KCNH2PIK3CBAKR1B1
SCHEMBL1767675 0.77 CA1 (0.53) POLBCCR2KCNH2PIK3CBAKR1B1
SCHEMBL2371261 0.77 POLB (0.50) POLBCCR2KCNH2PIK3CBAKR1B1
SCHEMBL24429412 0.74 CCR2 (0.50) POLBCCR2KCNH2PIK3CBAHR
SCHEMBL429955 0.74 POLB (0.48) POLBCCR2KCNH2PIK3CBAKR1B1
SCHEMBL778076 0.73 AKR1B1 (0.58) POLBCCR2KCNH2PIK3CBAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835461-B2 Substituted 3-hydroxy-4-pyridone derivative SHIONOGI & CO., LTD. (JP) 2014-09-16 US disclosed
EP-2412708-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE Shionogi&Co., Ltd. (JP) 2012-02-01 EP disclosed
US-20120022255-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
US-20110288093-A1 Compounds, Compositions, and Methods Comprising Pyridazine Sulfonamide Derivatives INSTITUTE FOR ONEWORLD HEALTH 2011-11-24 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-20110288093-A1 Compounds, Compositions, and Methods Comprising Pyridazine Sulfonamide Derivatives SCN1A, CLIC1, CLCN2 POLB 4138/4885CCR2 2255/4885KCNH2 21/4885
US-20120022255-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE ENDOD1, CNBP, DPP4 POLB 368/4885CCR2 4157/4885KCNH2 3373/4885

“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.