SCHEMBL646805

SCHEMBL646805

Cc1cc(Br)c(OCc2ccccc2)c2c1CCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
THRB P10828 5/20 0.49
THRA P10827 4/20 0.49
DHODH Q02127 1/20 0.48
GAA P10253 3/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPD P32754 1/20 0.43
KDM4E B2RXH2 1/20 0.43
BLM P54132 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.42
BRD4 O60885 1/20 0.40
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 2/20 0.40
MAOB P27338 2/20 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
SCHEMBL4723735 0.84 DHODH (0.47) ALDH1A1THRBTHRADHODHGAA
SCHEMBL647870 0.79 BRD4 (0.41) DHODHGAAHPGDMEN1KMT2A
SCHEMBL25817250 0.78 THRB (0.54) ALDH1A1THRBTHRAGAAMAPT
SCHEMBL3290986 0.78 L3MBTL1 (0.41) ALDH1A1GAAMAPTHPGDHPD
SCHEMBL25201648 0.78 MAOB (0.45) THRBTHRADHODHGAAMAPT
SCHEMBL1502370 0.76 THRB (0.58) ALDH1A1THRBTHRADHODHGAA
SCHEMBL12440971 0.75 MEN1 (0.55) ALDH1A1THRBTHRAGAAMAPT
SCHEMBL14101965 0.75 GAA (0.41) ALDH1A1THRBTHRADHODHGAA
SCHEMBL21806922 0.74 HPD (0.41) ALDH1A1DHODHGAAMAPTHPGD
SCHEMBL3291395 0.74 HPD (0.37) THRBTHRADHODHHPGDHPD

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 6 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
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 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 ALDH1A1 2398/4885THRB 530/4885THRA 1121/4885

“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.