SCHEMBL4332893

SCHEMBL4332893

[CH2]Oc1cc(F)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.48
PTGS1 P23219 1/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA4 P22748 1/20 0.44
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
ACHE P22303 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
AHR P35869 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 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
SCHEMBL166380 0.86 NFE2L2 (0.61) NFE2L2PTGS1CA2CA12CA1
SCHEMBL18472613 0.86 NFE2L2 (0.61) NFE2L2PTGS1CA2CA12CA1
SCHEMBL28299621 0.84 NFE2L2 (0.59) NFE2L2PTGS1CA2CA12CA1
SCHEMBL24716965 0.78 NFE2L2 (0.49) NFE2L2PTGS1CA2CA12CA1
SCHEMBL56900 0.77 NFE2L2 (0.47) NFE2L2PTGS1CA2CA12CA1
SCHEMBL25659894 0.76 NFE2L2 (0.46) NFE2L2PTGS1CA2CA12CA1
SCHEMBL1119428 0.76 NFE2L2 (0.46) NFE2L2PTGS1CA2CA12CA1
SCHEMBL6886853 0.76 NFE2L2 (0.41) NFE2L2PTGS1CA2CA12CA1
SCHEMBL1047333 0.76 CA12 (0.74) NFE2L2CA2CA12CA1CA7
SCHEMBL2099198 0.76 SLC6A4 (0.40) NFE2L2PTGS1ACHECYP1A2CYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879567-A1 AMINO ACID DERIVATIVES Pfizer Limited (GB) 2008-01-23 EP claimed
US-20060247291-A1 Amino acid derivatives PFIZER, INC. 2006-11-02 US claimed
WO-2006114707-A1 AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2006-11-02 WO claimed
US-7612226-B2 Amino acid derivatives PFIZER INC. (US) 2009-11-03 US disclosed
EP-1879567-A1 AMINO ACID DERIVATIVES Pfizer Limited (GB) 2008-01-23 EP disclosed
US-20060247291-A1 Amino acid derivatives PFIZER, INC. 2006-11-02 US disclosed
WO-2006114707-A1 AMINO ACID DERIVATIVES PFIZER LIMITED (GB) 2006-11-02 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-20060247291-A1 Amino acid derivatives OPRL1, BCAT2, BCAT1 NFE2L2 805/4885PTGS1 196/4885CA2 507/4885

“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.