SCHEMBL4647286

SCHEMBL4647286

Nc1cc(Oc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.50
MAOA P21397 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
C5AR1 P21730 1/20 0.46
FFAR1 O14842 3/20 0.45
FFAR4 Q5NUL3 2/20 0.45
APP P05067 1/20 0.45
LTA4H P09960 1/20 0.45
MAPK14 Q16539 1/20 0.45
ALOX5 P09917 1/20 0.45
LMNA P02545 1/20 0.43
PTGS1 P23219 1/20 0.43

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
SCHEMBL11114770 0.88 MAOB (0.59) MAOBMAOAGAAMAPTRAB9A
SCHEMBL30058080 0.87 MAOB (0.50) MAOBMAOAGAAMAPTRAB9A
SCHEMBL647614 0.87 MAOB (0.50) MAOBMAOAGAAMAPTRAB9A
SCHEMBL9315251 0.84 MAOB (0.58) MAOBMAOAGAAMAPTRAB9A
SCHEMBL9694746 0.82 TTR (0.54) MAOBCYP1A2CYP2C19C5AR1FFAR1
SCHEMBL9048086 0.82 MAOB (0.56) MAOBMAOAGAAMAPTRAB9A
SCHEMBL811219 0.80 CYP1A2 (0.60) MAOBMAOAGAAMAPTRAB9A
SCHEMBL11372714 0.80 MAPT (0.56) MAOBMAOAGAAMAPTRAB9A
SCHEMBL5206833 0.79 MAOB (0.52) MAOBMAOAGAAMAPTRAB9A
SCHEMBL9430298 0.79 MAOB (0.45) MAOBMAOAGAAMAPTRAB9A

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
CN-101321743-A 1,1, 3-trioxo-1, 2, 5-thiadiazolidines as PTP-enzyme inhibitors and their use NOVARTIS AG (CH) 2008-12-10 CN disclosed
US-20080293782-A1 1,1,3-Trioxo-1,2,5-Thiadiazolidines and Their Use as Ptp-Ases Inhibitors NOVARTIS AG (CH) 2008-11-27 US disclosed
EP-1960377-A1 l , l , 3-TRI0X0-l , 2 , 5-THIADIAZ0LIDINES AND THEIR USE AS PTP-ASES INHIBITORS Novartis AG (CH) 2008-08-27 EP disclosed
WO-2007067614-A1 l, l, 3-TRI0X0-l, 2, 5-THIADIAZ0LIDINES AND THEIR USE AS PTP-ASES INHIBITORS NOVARTIS AG (CH) 2007-06-14 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-20080293782-A1 1,1,3-Trioxo-1,2,5-Thiadiazolidines and Their Use as Ptp-Ases Inhibitors PTPRS, IRS1, PTPMT1 MAOB 2362/4885MAOA 2690/4885GAA 1029/4885

“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.