SCHEMBL646557

SCHEMBL646557

COc1ccc(COc2cc3c(cc2Br)CCC3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.44
MAOA P21397 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
PTGER1 P34995 1/20 0.43
APP P05067 3/20 0.43
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR2B P41595 1/20 0.42
REV1 Q9UBZ9 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
SCHEMBL647390 0.80 NPC1 (0.48) MAOBMAOAADRA1DADRA1AADRA1B
SCHEMBL25173929 0.77 MAOB (0.55) MAOBAPPNPC1RAB9ASMN1; SMN2
SCHEMBL6472248 0.76 ABCB1 (0.44) MAOBAPPNPC1RAB9ATP53
SCHEMBL3931258 0.76 CCR5 (0.56) MAOBPTGER1APPNPC1RAB9A
SCHEMBL30181542 0.75 L3MBTL1 (0.52) MAOBAPPNPC1RAB9ATP53
SCHEMBL24855495 0.75 L3MBTL1 (0.52) MAOBAPPNPC1RAB9ATP53
SCHEMBL1701703 0.74 HTR2C (0.69) MAOBMAOAHTR2AHTR2CMAPT
SCHEMBL6164757 0.74 HTR2C (0.69) MAOBMAOAHTR2AHTR2CMAPT
SCHEMBL24504445 0.74 CCR5 (0.49) APPNPC1RAB9ATP53GAA
SCHEMBL29715697 0.74 CCR5 (0.49) APPNPC1RAB9ATP53GAA

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 MAOB 2295/4885MAOA 2550/4885ADRA1D 1651/4885

“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.