SCHEMBL4646740

SCHEMBL4646740

COC(=O)CNc1cc(CN(Cc2ccccc2)C(=O)OCc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.42
PTGES O14684 1/20 0.41
BRD4 O60885 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
APP P05067 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.40
CCR6 P51684 1/20 0.40
PAX8 Q06710 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
RAF1 P04049 1/20 0.40
MAP2K1 Q02750 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
SCHEMBL27753594 0.80 PTGES (0.42) MEN1KMT2ATRPM8PTGESBRD4
SCHEMBL4643523 0.78 MEN1 (0.45) MEN1KMT2ATRPM8PTGESFFAR4
SCHEMBL4687981 0.77 TRPM8 (0.46) MEN1KMT2ATRPM8PTGESFFAR4
SCHEMBL4647219 0.76 HDAC8 (0.47) BRD4FFAR4MTNR1AMTNR1B
SCHEMBL27364470 0.74 CCR6 (0.55) KMT2ACCR6PAX8
SCHEMBL14610517 0.72 TRPM8 (0.68) MEN1KMT2ATRPM8MTNR1AMTNR1B
SCHEMBL4687542 0.71 PPARA (0.44) MEN1KMT2ABRD4FFAR4MTNR1A
SCHEMBL629862 0.71 HPGD (0.45) BRD4
SCHEMBL14610873 0.71 TRPM8 (0.60) MEN1KMT2ATRPM8MTNR1AMTNR1B
SCHEMBL3915952 0.71 PPIA (0.47) KMT2ABRD4

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 3349/4885TRPM8 4047/4885

“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.