SCHEMBL4646279

SCHEMBL4646279

O=[N+]([O-])c1cc(Oc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ATM Q13315 1/20 0.54
CTSV O60911 4/20 0.54
CTSL P07711 4/20 0.54
MAPT P10636 2/20 0.49
PTGES O14684 1/20 0.46
AR P10275 1/20 0.45
ABCB1 P08183 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
HPSE Q9Y251 1/20 0.44
PIN1 Q13526 2/20 0.44
TLR4 O00206 1/20 0.44
TLR2 O60603 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
SCHEMBL27863231 0.91 POLB (0.50) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL6290062 0.90 POLB (0.52) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL29502844 0.90 POLB (0.58) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL5421861 0.90 POLB (0.58) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL27879431 0.89 POLB (0.48) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL646471 0.89 MEN1 (0.54) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL30061165 0.89 MEN1 (0.54) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL9314457 0.86 RAB9A (0.58) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL7552860 0.86 MEN1 (0.53) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL27481728 0.85 PKM (0.57) POLBMEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 POLB 3613/4885MEN1 4447/4885KMT2A 3349/4885

“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.