SCHEMBL6540191

SCHEMBL6540191

Cc1cc(S(=O)(=O)c2ccc(CCNC(=O)C(F)(F)F)cc2)ccc1OCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
APEX1 P27695 1/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.44
PPARD Q03181 6/20 0.43
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARA Q07869 3/20 0.40
PPARG P37231 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 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
SCHEMBL6541275 0.88 PTPN1 (0.47) PTPN1PTGDR2KMT2AALDH1A1GAA
SCHEMBL6539542 0.87 TSHR (0.47) ALDH1A1
SCHEMBL6541242 0.87 CA1 (0.40) ALDH1A1GAA
SCHEMBL6554075 0.85 KMT2A (0.45) KMT2AALDH1A1GAA
SCHEMBL6554072 0.84 CA1 (0.40) KMT2AALDH1A1GAA
SCHEMBL6541355 0.82 PTPN1 (0.46) PTPN1APEX1PTGDR2PPARDKDM4E
SCHEMBL6540265 0.82 NAMPT (0.46) ALDH1A1
SCHEMBL6540407 0.82 CA1 (0.47) ALDH1A1GAA
SCHEMBL6677132 0.81 HTT (0.42) ALDH1A1GAA
SCHEMBL6681831 0.81 POLB (0.39) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 PTPN1 4443/4885APEX1 1313/4885PTGDR2 300/4885

“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.