SCHEMBL2789141

SCHEMBL2789141

CC1(c2cc(-c3ccc(F)cc3F)ccc2O)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.49
TTR P02766 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
DHFR P00374 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
LMNA P02545 1/20 0.49
ALB P02768 1/20 0.49
HMGB1 P09429 1/20 0.49
HPGD P15428 1/20 0.49
CXCL12 P48061 1/20 0.49
KMT2A Q03164 1/20 0.49
HIF1A Q16665 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
ACMSD Q8TDX5 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RARB P10826 4/20 0.48

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
SCHEMBL2568567 0.83 RARB (0.48) PTPN11RARBRARGRARAESR1
SCHEMBL2790354 0.79 TTR (0.57) PTPN11TTRKDM4EMEN1USP2
SCHEMBL2788758 0.77 TTR (0.58) PTPN11TTRKDM4EMEN1USP2
SCHEMBL2788873 0.74 PTPN11 (0.50) PTPN11TTRKDM4EMEN1USP2
SCHEMBL20628768 0.73 BACE1 (0.46) ALDH1A1CYP2C19BACE1
SCHEMBL2760398 0.72 TTR (0.59) TTRKDM4EMEN1USP2ALDH1A1
SCHEMBL22400205 0.70 BACE1 (0.46) ALDH1A1CYP2C19MAPK14BACE1
SCHEMBL10899122 0.70 RARB (0.50) PTPN11RARBRARGRARAESR1
SCHEMBL13652987 0.70 TTR (0.60) TTRKDM4EMEN1USP2ALDH1A1
SCHEMBL14408194 0.69 TTR (0.59) TTRKDM4EMEN1USP2ALDH1A1

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-20100041657-A1 HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDICK A/S (DK) 2010-02-18 US disclosed
EP-1881961-A1 NEW HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDISK A/S (DK) 2008-01-30 EP disclosed
WO-2006120178-A1 NEW HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDISK A/S (DK) 2006-11-16 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-20100041657-A1 HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES RPS12, GPR119, ATP12A PTPN11 2898/4885TTR 3523/4885KDM4E 2679/4885

“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.