SCHEMBL4842902

SCHEMBL4842902

O=C(Cc1ccc(C(F)(F)F)cc1)c1cc(F)c(F)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.51
PTPN1 P18031 2/20 0.45
GSK3B P49841 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
RXRA P19793 3/20 0.43
RXRB P28702 3/20 0.43
RXRG P48443 3/20 0.43
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
SRD5A2 P31213 1/20 0.43
NLRP3 Q96P20 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
CNR2 P34972 1/20 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
SCHEMBL4847457 0.83 PTPN1 (0.63) PIK3CAPTPN1GSK3BHDAC1HDAC8
SCHEMBL26627972 0.81 PIK3CA (0.51) PIK3CAPTPN1GSK3BHDAC1HDAC8
SCHEMBL14085828 0.80 L3MBTL1 (0.56) GSK3BCES2CES1
SCHEMBL6339735 0.80 PTPN1 (0.56) PIK3CAPTPN1GSK3BHDAC1HDAC8
SCHEMBL4846480 0.80 MAPT (0.53) CES2CES1SRD5A2
SCHEMBL1040696 0.78 PIK3CA (0.55) PIK3CAPTPN1GSK3BHDAC1HDAC8
SCHEMBL8371456 0.77 PTPN1 (0.56) PIK3CAPTPN1GSK3BHDAC1HDAC8
SCHEMBL5921849 0.77 PIK3CA (0.54) PIK3CAPTPN1GSK3BHDAC1HDAC8
SCHEMBL4843425 0.76 CES2 (0.70) PTPN1GSK3BCES2CES1SRD5A2
SCHEMBL6755425 0.75 RAB9A (0.65) PIK3CAPTPN1GSK3BHDAC1HDAC8

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 PIK3CA 1991/4885PTPN1 1958/4885GSK3B 975/4885

“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.