SCHEMBL7518010

SCHEMBL7518010

O=C(O)C1CC(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)CCN1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.50
MMP1 P03956 3/20 0.48
ADAM17 P78536 3/20 0.48
SPHK1 Q9NYA1 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR2A P28223 1/20 0.46
FFAR2 O15552 3/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
CD274 Q9NZQ7 2/20 0.44
PDCD1 Q15116 1/20 0.44

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
Hydroxyamine SCHEMBL7641818 0.98 NPC1 (0.48) S1PR5MMP1ADAM17SPHK1NPC1
SCHEMBL7951375 0.90 ADAM17 (0.59) MMP1ADAM17MMP9MMP13
SCHEMBL7511232 0.89 S1PR5 (0.48) S1PR5MMP1ADAM17HTR2AFFAR2
SCHEMBL7555707 0.88 ALDH1A1 (0.50) MMP1ADAM17SMN1; SMN2HTR2AMMP9
SCHEMBL7510863 0.88 POLB (0.54) S1PR5MMP1ADAM17SPHK1NPC1
SCHEMBL7555310 0.87 MMP8 (0.46) S1PR5MMP1ADAM17SMN1; SMN2HTR2A
SCHEMBL7550516 0.86 S1PR5 (0.51) S1PR5MMP1ADAM17RAB9ASMN1; SMN2
Hydroxyamine SCHEMBL7549789 0.85 MMP8 (0.45) S1PR5MMP1ADAM17SMN1; SMN2HTR2A
SCHEMBL7506020 0.83 S1PR5 (0.53) S1PR5MMP1ADAM17SPHK1NPC1
SCHEMBL7548378 0.80 MMP13 (0.46) MMP1ADAM17MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117247419-A Paeoniflorin benzenesulfonate impurity and preparation method and application thereof 广州白云山汉方现代药业有限公司 2023-12-19 CN claimed
CN-117247420-A Paeoniflorin-6' -O-benzenesulfonate impurity, and preparation method and application thereof 广州白云山汉方现代药业有限公司 2023-12-19 CN claimed
WO-2023000518-A1 METHOD FOR SYNTHESIZING PAEONIFLORIN DERIVATIVE 广州白云山汉方现代药业有限公司 2023-01-26 WO claimed
CN-117247420-A Paeoniflorin-6' -O-benzenesulfonate impurity, and preparation method and application thereof 广州白云山汉方现代药业有限公司 2023-12-19 CN disclosed
CN-117247419-A Paeoniflorin benzenesulfonate impurity and preparation method and application thereof 广州白云山汉方现代药业有限公司 2023-12-19 CN disclosed
CN-102516289-B Preparation method of sulfur bridge-containing reverse ester thiol methyltin Hubei nanxing chemical general factory 2015-07-15 CN disclosed
CN-102516289-A Preparation method of sulfur bridge-containing reverse ester thiol methyltin Hubei nanxing chemical general factory 2012-06-27 CN disclosed
US-6441023-B1 FOR THERAPY OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN HOME PRODUCTS CORPORATION 2002-08-27 US disclosed
US-20020032186-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors AMERICAN CYANAMID COMPANY (US) 2002-03-14 US disclosed
JP-2002003812-A TWO-PACK TYPE URETHANE ADHESIVE AND METHOD FOR MANUFACTURING SANDWICHED HONEYCOMB STRUCTURE PANEL USING THE SAME SEKISUI CHEM CO LTD 2002-01-09 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-20020032186-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors MMP12, ADAM33, MMP2 S1PR5 1323/4885MMP1 4/4885ADAM17 5/4885

“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.