SCHEMBL4848612

SCHEMBL4848612

O=C(Cc1cc(F)cc(F)c1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.54
GSK3B P49841 1/20 0.54
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
MMP1 P03956 1/20 0.47
PIK3CA P42336 1/20 0.45
HSD11B1 P28845 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
MAPK14 Q16539 1/20 0.44
SRD5A2 P31213 2/20 0.44
MMP2 P08253 1/20 0.43
MMP8 P22894 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL6339735 0.85 PTPN1 (0.56) PTPN1GSK3BCES2CES1MMP1
SCHEMBL4847457 0.84 PTPN1 (0.63) PTPN1GSK3BCES2CES1MMP1
SCHEMBL1515765 0.79 MAPT (0.61) PTPN1GSK3BCES2CES1MMP1
SCHEMBL4745782 0.79 MAPT (0.50) PTPN1GSK3BCES1MAPK14SRD5A2
SCHEMBL8371456 0.78 PTPN1 (0.56) PTPN1GSK3BCES2CES1MMP1
SCHEMBL6282286 0.78 PTPN1 (0.56) PTPN1GSK3BCES2CES1MMP1
SCHEMBL6755425 0.77 RAB9A (0.65) PTPN1GSK3BCES2CES1MMP1
SCHEMBL15391480 0.77 RAB9A (0.65) PTPN1GSK3BCES2CES1MMP1
SCHEMBL12441661 0.77 GSK3B (0.59) PTPN1GSK3BCES2CES1MMP1
SCHEMBL1040696 0.76 PIK3CA (0.55) PTPN1GSK3BCES1PIK3CAHSD11B1

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
US-7439360-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-10-21 US disclosed
US-7439360-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-10-21 US disclosed
US-7439360-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-10-21 US disclosed
EP-1802605-A1 IMIDAZOLE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Amgen, Inc (US) 2007-07-04 EP disclosed
WO-2006044527-A1 IMIDAZOLE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS AMGEN INC. (US) 2006-04-27 WO disclosed
US-20060084640-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-04-20 US 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-20060084640-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 PTPN1 1958/4885GSK3B 975/4885CES2 4307/4885

“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.