SCHEMBL6540375

SCHEMBL6540375

C[C@@H](N)Cc1ccc(S(=O)(=O)c2ccc(OCC(=O)O)c(F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
PTGDR2 Q9Y5Y4 5/20 0.44
FFAR1 O14842 9/20 0.44
PPARD Q03181 5/20 0.44
PPARA Q07869 4/20 0.44
PPARG P37231 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PTGDR Q13258 1/20 0.43
NR1H4 Q96RI1 1/20 0.42

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
SCHEMBL6540961 0.87 APEX1 (0.49) PTPN1PTGDR2FFAR1PPARDPPARA
SCHEMBL6540959 0.86 TDP1 (0.48) PTPN1PTGDR2ALDH1A1
SCHEMBL6553968 0.84 CYP4F2 (0.42)
SCHEMBL6541353 0.83 HTR6 (0.51) PTPN1PTGDR2FFAR1PPARDPPARA
SCHEMBL6541794 0.82 PTPN1 (0.44) PTPN1PTGDR2FFAR1PPARDPPARA
SCHEMBL6553965 0.82 NAMPT (0.37) PPARAPPARG
SCHEMBL6539185 0.82 ALDH1A1 (0.68) ALDH1A1
SCHEMBL6540974 0.81 ALDH1A1 (0.52) ALDH1A1
SCHEMBL6540022 0.77 ADRB3 (0.68)
SCHEMBL6540027 0.77 ADRB3 (0.68)

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 4443/4885PTGDR2 300/4885FFAR1 282/4885

“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.