SCHEMBL4643523

SCHEMBL4643523

Nc1cc(CN(Cc2ccccc2)C(=O)OCc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44
FOLH1 Q04609 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
PTGES O14684 1/20 0.42
KDM4E B2RXH2 1/20 0.42
FFAR1 O14842 1/20 0.41
APP P05067 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
RAF1 P04049 1/20 0.41
MAP2K1 Q02750 1/20 0.41
CCR6 P51684 1/20 0.41
PAX8 Q06710 1/20 0.41
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
ALOX5 P09917 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL20380501 0.81 CCR6 (0.48) MEN1KMT2AKDM4ECCR6PAX8
SCHEMBL27364470 0.81 CCR6 (0.55) KMT2ACCR6PAX8
SCHEMBL4687981 0.80 TRPM8 (0.46) MEN1KMT2AFFAR4TRPM8PTGES
SCHEMBL11085556 0.80 KDM4E (0.50) MEN1KMT2AKDM4EEGFRSRC
Carbamic Acid SCHEMBL29254315 0.79 CCR6 (0.51) KMT2AKDM4ECCR6PAX8
SCHEMBL27753604 0.78 MAOB (0.51) FFAR4PTGESFFAR1ALOX5PTGS1
SCHEMBL27753602 0.78 ALOX5 (0.43) MEN1KMT2AFFAR4FOLH1FFAR1
SCHEMBL4646740 0.78 MEN1 (0.44) MEN1KMT2AFFAR4TRPM8PTGES
SCHEMBL14610517 0.77 TRPM8 (0.68) MEN1KMT2ATRPM8KDM4EAPP
SCHEMBL27753594 0.76 PTGES (0.42) MEN1KMT2AFFAR4TRPM8PTGES

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 MEN1 4447/4885KMT2A 3349/4885FFAR4 1923/4885

“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.