SCHEMBL647390

SCHEMBL647390

COc1ccc(COc2cc3c(cc2C=O)CCC3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
HDAC8 Q9BY41 2/20 0.46
TUBB1 Q9H4B7 1/20 0.46
RXRB P28702 4/20 0.44
RXRA P19793 3/20 0.44
RXRG P48443 3/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 2/20 0.43
GAA P10253 1/20 0.43
PTGER1 P34995 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42

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
SCHEMBL25750639 0.81 NPC1 (0.52) NPC1RAB9ATDP1HDAC8TUBB1
SCHEMBL21347524 0.80 TUBB1 (0.59) NPC1RAB9ATDP1HDAC8TUBB1
SCHEMBL646557 0.80 MAOB (0.44) NPC1RAB9ARXRBRXRARXRG
SCHEMBL7147744 0.79 TUBB1 (0.66) NPC1RAB9ATDP1HDAC8TUBB1
SCHEMBL21370452 0.79 NPC1 (0.61) NPC1RAB9ATDP1HDAC8TUBB1
SCHEMBL5286017 0.77 ALDH1A1 (0.56) NPC1RAB9ATDP1HDAC8TUBB1
SCHEMBL5290849 0.77 ALDH1A1 (0.56) NPC1RAB9ATDP1HDAC8TUBB1
SCHEMBL22160281 0.77 NPC1 (0.62) NPC1RAB9ATDP1HDAC8TUBB1
SCHEMBL6333334 0.76 ALDH1A1 (0.59) NPC1RAB9ATDP1MAPTSMN1; SMN2
SCHEMBL6333760 0.76 ALDH1A1 (0.59) NPC1RAB9ATDP1MAPTSMN1; SMN2

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 NPC1 3005/4885RAB9A 3137/4885TDP1 806/4885

“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.