SCHEMBL6540545

SCHEMBL6540545

CCOC(=O)c1ccc(S(=O)(=O)c2ccc(CCN)cc2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.47
TSHR P16473 3/20 0.42
F2 P00734 2/20 0.42
TMPRSS4 Q9NRS4 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CA2 P00918 4/20 0.40
CA1 P00915 3/20 0.40
CA12 O43570 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA5B Q9Y2D0 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
SCHEMBL6541317 0.89 HTR6 (0.48) HTR6TSHRF2TMPRSS4TP53
SCHEMBL6541364 0.87 HTR6 (0.46) HTR6TSHRF2TMPRSS4TP53
SCHEMBL6540373 0.85 CA2 (0.39) TSHRCA2CA1CA12CA7
SCHEMBL6539760 0.83 GAA (0.52) HTR6TSHRCYP1A2KDM4ELMNA
SCHEMBL6539909 0.82 LMNA (0.41) TP53CA2CA1CA12CA7
SCHEMBL6675991 0.82 HTR6 (0.40) HTR6TSHRCA2CA1CA12
SCHEMBL6540016 0.82 CA1 (0.47) TSHRTP53CYP1A2CYP2D6CA2
SCHEMBL6680753 0.80 CYP4F2 (0.43) HTR6TSHRTP53CA2CA1
SCHEMBL2979630 0.78 TSHR (0.46) TSHRCA2CA1CA12CA7
SCHEMBL6678398 0.77 GAA (0.53) TSHRKDM4ELMNAL3MBTL1GAA

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 HTR6 522/4885TSHR 3667/4885F2 1707/4885

“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.