SCHEMBL4540142

SCHEMBL4540142

O=S(=O)(c1ccccc1)c1cc[nH]n1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 8/20 0.58
HTR6 P50406 4/20 0.50
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AGTR1 P30556 1/20 0.40
FEN1 P39748 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
SCHEMBL22494209 0.83 AKR1B1 (0.35) AKR1B1
SCHEMBL29236467 0.81 AKR1B1 (0.41) AKR1B1HTR6ALDH1A1TSHR
SCHEMBL27534224 0.81 AKR1B1 (0.60) AKR1B1
SCHEMBL29138001 0.81 AKR1B1 (0.39) AKR1B1
SCHEMBL1763273 0.81 AKR1B1 (0.60) AKR1B1ALDH1A1TSHRSMN1; SMN2
SCHEMBL27407695 0.79 AKR1B1 (0.42) AKR1B1HTR6ALDH1A1TSHRSMN1; SMN2
SCHEMBL27407696 0.79 AKR1B1 (0.42) AKR1B1HTR6FEN1
SCHEMBL28085263 0.79 AKR1B1 (0.41) AKR1B1
SCHEMBL28977117 0.79 AKR1B1 (0.64) AKR1B1HTR6TDP1TSHRSMN1; SMN2
SCHEMBL27393119 0.76 KDM4E (0.49) AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107556255-A A kind of organic amine modified melamine polyphosphate and preparation method thereof 东华大学 2018-01-09 CN claimed
CN-107459492-A A kind of organically-modified melamine polyphosphate and preparation method thereof 东华大学 2017-12-12 CN claimed
JP-1221368-A None JP disclosed
CN-114411178-B Polysubstituted pyrazole compound and electrochemical synthesis method thereof 南京工业大学 2023-06-30 CN disclosed
CN-114411178-A Polysubstituted pyrazole compound and electrochemical synthesis method thereof 南京工业大学 2022-04-29 CN disclosed
CN-107556255-A A kind of organic amine modified melamine polyphosphate and preparation method thereof 东华大学 2018-01-09 CN disclosed
CN-107459492-A A kind of organically-modified melamine polyphosphate and preparation method thereof 东华大学 2017-12-12 CN disclosed
US-7622486-B2 Pyridine compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS, INC. (US) 2009-11-24 US disclosed
CN-101331118-A Pyrazoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2008-12-24 CN disclosed
WO-2007129169-A2 COX- II INHIBITORS FOR IMPROVING REPRODUCTIVE SUCCESS IN A FEMALE ANIMAL PFIZER LIMITED (GB) 2007-11-15 WO disclosed
US-20060084644-A1 Novel pyridine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US disclosed
JP-H01221368-A PHENYLSULFONYLPYRAZOLE DERIVATIVE DAI ICHI SEIYAKU CO LTD 1989-09-04 JP 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-20060084644-A1 Novel pyridine compounds, process for their preparation and compositions containing them LDLR, LRP6, PLPBP AKR1B1 2042/4885HTR6 3178/4885ALDH1A1 3749/4885

“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.