SCHEMBL4645964

SCHEMBL4645964

C=CCCOc1cccc(O)c1C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
KDM4E B2RXH2 2/20 0.49
PTPN1 P18031 12/20 0.45
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
PTPRF P10586 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPRA P18433 1/20 0.41

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
SCHEMBL4644482 0.82 KDM4E (0.48) KDM4E
SCHEMBL19684905 0.81 PTPN1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL19064581 0.79 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL9698411 0.79 PTPN1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL8956310 0.79 PTPN1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL3735898 0.79 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL28576934 0.78 KDM4E (0.68) KDM4E
Hydrochloric Acid SCHEMBL5892682 0.78 CA12 (0.56) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL5892998 0.77 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL6181777 0.77 CA12 (0.62) CA12CA1CA2CA7CA9

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 CA12 4835/4885CA1 4225/4885CA2 3030/4885

“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.