SCHEMBL16110400

SCHEMBL16110400

[CH2]C(=O)c1ccc(S(F)(F)(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 3/20 0.40
▸ AKR1C2 P52895 3/20 0.40
▸ PTGS1 P23219 1/20 0.37
▸ PDE2A O00408 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.34
▸ KDM1A O60341 1/20 0.32
▸ CES2 O00748 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TRPV4 Q9HBA0 1/20 0.31
▸ MGLL Q99685 1/20 0.31
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30

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
SCHEMBL3539246 0.81 PARP10 (0.48) AKR1C3AKR1C2PDE2ATSHRCA1
SCHEMBL16161046 0.78 AKR1C3 (0.41) AKR1C3AKR1C2PTGS1PDE2AHDAC6
SCHEMBL1194001 0.78 TSHR (0.60) AKR1C3AKR1C2PTGS1CES2CES1
SCHEMBL8737307 0.76 MAPT (0.48) AKR1C3AKR1C2PDE2A
SCHEMBL8045036 0.76 ALDH1A1 (0.43) AKR1C3AKR1C2PTGS1PDE2AHDAC6
SCHEMBL20560502 0.74 AKR1C3 (0.39) AKR1C3AKR1C2PTGS1PDE2AHDAC6
SCHEMBL21585246 0.73 ALDH1A1 (0.61) AKR1C3AKR1C2PTGS1CES2CES1
SCHEMBL1970199 0.72 PDE2A (0.52) AKR1C3AKR1C2PTGS1PDE2AKDM1A
SCHEMBL1259812 0.72 CES2 (0.62) CES2CES1CA1CA2
SCHEMBL16110122 0.71 PTPN1 (0.61) AKR1C3AKR1C2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079878-B2 (4-phenylimidazol-2-yl) ethylamine derivatives useful as sodium channel modulators PFIZER LIMITED (GB) 2015-07-14 — — US disclosed
US-20140296313-A1 (4-Phenylimidazol-2-yl) Ethylamine Derivatives Useful As Sodium Channel Modulators PFIZER LIMITED (GB) 2014-10-02 — — 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-20140296313-A1 (4-Phenylimidazol-2-yl) Ethylamine Derivatives Useful As Sodium Channel Modulators SCN8A, SCN1A, SCN5A AKR1C3 2043/4885AKR1C2 2593/4885PTGS1 1084/4885

“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.

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