SCHEMBL647879

SCHEMBL647879

CCOC(=O)CNc1ccc(Cc2cccc(OCc3ccccc3)c2C#N)cc1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.40
BRD4 O60885 3/20 0.39
PDCD1 Q15116 4/20 0.38
CD274 Q9NZQ7 4/20 0.38
LTA4H P09960 4/20 0.38
THRB P10828 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
VEGFA P15692 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL8104076 0.76 MRGPRX4 (0.50) MRGPRX4BRD4PDCD1CD274LTA4H
SCHEMBL645984 0.74 NPC1 (0.44) MRGPRX4MAPTNPC1RAB9AVEGFA
SCHEMBL646771 0.72 SGMS2 (0.44) MRGPRX4PDCD1CD274POLBMAPT
SCHEMBL3176571 0.70 BRD4 (0.58) BRD4THRBMAPTTDP1
SCHEMBL647192 0.70 SGMS2 (0.43) PDCD1CD274MAPTNPC1RAB9A
SCHEMBL4643473 0.70 LRRK2 (0.49) BRD4RAB9A
SCHEMBL3915710 0.70 BRD4 (0.43) BRD4THRBPOLBMAPTNPC1
SCHEMBL630140 0.70 MEN1 (0.48) MRGPRX4LTA4HMAPTNPC1
SCHEMBL2897343 0.70 SMN1; SMN2 (0.44) BRD4LTA4HMAPTRAB9ATDP1
SCHEMBL31748463 0.69 ALDH1A1 (0.47) LTA4HTHRBPOLBMAPTRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963294-B1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) NOVARTIS AG (CH) 2012-10-10 EP disclosed
US-8119666-B2 1,2,5-thiazolidine derivatives useful for treating conditions mediated by protein tyrosine phosphatases (PTPase) NOVARTIS AG (CH) 2012-02-21 US disclosed
US-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) NOVARTIS AG (CH) 2008-11-27 US disclosed
EP-1963294-A1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007067613-A1 1,2,5-THIAZOLIDINE DERIVATIVES USEFUL FOR TREATING CONDITIONS MEDIATED BY PROTEIN TYROSINE PHOSPHATASES (PTPASE) 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-20080293776-A1 1,2,5-Thiazolidine Derivatives Useful for Treating Conditions Mediated by Protein Tyrosine Phosphatases (Ptpase) PTPRS, PTPN5, PTPRR MRGPRX4 1398/4885BRD4 3258/4885PDCD1 789/4885

“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.