SCHEMBL4643314

SCHEMBL4643314

CC(C)=CCOc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.50
CTSL P07711 4/20 0.50
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
PPARG P37231 1/20 0.48
POLB P06746 1/20 0.48
CYP19A1 P11511 1/20 0.45
ABCB1 P08183 1/20 0.45
BACE1 P56817 1/20 0.44
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL29502844 0.85 POLB (0.58) CTSVCTSLMEN1MAPTKMT2A
SCHEMBL5421861 0.85 POLB (0.58) CTSVCTSLMEN1MAPTKMT2A
SCHEMBL27481728 0.83 PKM (0.57) CTSVCTSLMEN1MAPTKMT2A
SCHEMBL4647757 0.82 CTSV (0.56) CTSVCTSLMEN1MAPTKMT2A
SCHEMBL9314457 0.81 RAB9A (0.58) CTSVCTSLMEN1MAPTKMT2A
SCHEMBL8875982 0.80 RAB9A (0.55) CTSVCTSLMEN1MAPTKMT2A
SCHEMBL5501006 0.79 MEN1 (0.59) CTSVCTSLMEN1MAPTKMT2A
SCHEMBL3997761 0.79 MEN1 (0.67) CTSVCTSLMEN1MAPTKMT2A
SCHEMBL4646279 0.79 POLB (0.55) CTSVCTSLMEN1MAPTKMT2A
SCHEMBL7402862 0.78 POLB (0.52) CTSVCTSLMEN1MAPTKMT2A

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 CTSV 3535/4885CTSL 3846/4885MEN1 4447/4885

“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.