SCHEMBL20646281

SCHEMBL20646281

CCCCc1cc(S(F)(F)(F)(F)F)cc2c1OC(C(F)(F)F)C(C(=O)O)=C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 1.00
PTGS1 P23219 9/20 0.60

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
SCHEMBL20646261 0.97 PTGS2 (0.94) PTGS2PTGS1
SCHEMBL20646293 0.93 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL16893545 0.91 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL16893543 0.91 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL20826001 0.85 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5646378 0.82 PTGS2 (0.88) PTGS2PTGS1
SCHEMBL20825803 0.82 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL5668322 0.82 PTGS2 (0.69) PTGS2PTGS1
Fluoride SCHEMBL20636896 0.81 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL16893929 0.81 PTGS2 (0.82) PTGS2PTGS1

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-10414744-B2 4-sulfur pentafluoride phenol compound and preparation method therefor, and preparation method for sulfur pentafluoride substituted benzopyran compound Guangzhou Institutes of Biomedicine and Health Chinese Academy of Sciences (CN) 2019-09-17 US disclosed
US-20190084957-A1 4-SULFUR PENTAFLUORIDE PHENOL COMPOUND AND PREPARATION METHOD THEREFOR, AND PREPARATION METHOD FOR SULFUR PENTAFLUORIDE SUBSTITUTED BENZOPYRAN COMPOUND Guangzhou Institutes of Biomedicine and Health Chinese Academy of Sciences (CN) 2019-03-21 US disclosed
EP-3428154-A1 4-SULFUR PENTAFLUORIDE PHENOL COMPOUND AND PREPARATION METHOD THEREFOR, AND PREPARATION METHOD FOR SULFUR PENTAFLUORIDE SUBSTITUTED BENZOPYRAN COMPOUND Guangzhou Institutes Of Biomedicine And Health Chinese Academy Of Sciences (CN) 2019-01-16 EP 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 (2 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-20190084957-A1 4-SULFUR PENTAFLUORIDE PHENOL COMPOUND AND PREPARATION METHOD THEREFOR, AND PREPARATION METHOD FOR SULFUR PENTAFLUORIDE SUBSTITUTED BENZOPYRAN COMPOUND SALL4, FGFR4, CYP4F11 PTGS2 2383/4885PTGS1 2136/4885
US-10414744-B2 4-sulfur pentafluoride phenol compound and preparation method therefor, and preparation method for sulfur pentafluoride substituted benzopyran compound SALL4, FGFR4, CYP4F11 PTGS2 2383/4885PTGS1 2136/4885

“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.