SCHEMBL4643754

SCHEMBL4643754

O=[N+]([O-])c1cc(CNCc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.56
CTSL P07711 3/20 0.56
KDM4E B2RXH2 1/20 0.55
PDCD1 Q15116 7/20 0.55
CD274 Q9NZQ7 7/20 0.55
POLB P06746 2/20 0.54
KCNH2 Q12809 1/20 0.52
BCHE P06276 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
ATM Q13315 1/20 0.51
HTR1A P08908 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49

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
SCHEMBL7840693 0.90 KDM4E (0.57) CTSVCTSLKDM4EPDCD1CD274
Hydrochloric Acid SCHEMBL11669913 0.89 KDM4E (0.56) CTSVCTSLKDM4EPDCD1CD274
Bromide SCHEMBL11670771 0.89 KDM4E (0.56) CTSVCTSLKDM4EPDCD1CD274
SCHEMBL4290434 0.85 POLB (0.55) CTSVCTSLPDCD1CD274POLB
SCHEMBL4126272 0.83 CTSV (0.58) CTSVCTSLPDCD1CD274POLB
SCHEMBL3994909 0.83 POLB (0.56) CTSVCTSLPDCD1CD274POLB
SCHEMBL10409125 0.83 POLB (0.56) CTSVCTSLPOLBMEN1KMT2A
SCHEMBL30008070 0.83 POLB (0.56) CTSVCTSLPDCD1CD274POLB
SCHEMBL30008652 0.83 CTSV (0.58) CTSVCTSLPDCD1CD274POLB
SCHEMBL27792044 0.83 POLB (0.56) CTSVCTSLPOLBMEN1KMT2A

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 CTSV 3535/4885CTSL 3846/4885KDM4E 3278/4885

“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.