SCHEMBL6540877

SCHEMBL6540877

O=C(NCCc1ccc(S(=O)(=O)c2ccc(O)c(O)c2)cc1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.50
CA2 P00918 10/20 0.50
CA9 Q16790 6/20 0.49
CA7 P43166 2/20 0.49
CA14 Q9ULX7 1/20 0.49
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
PTGS1 P23219 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA12 O43570 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
APP P05067 1/20 0.42
STS P08842 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL6806399 0.93 CA2 (0.43) CA1CA2CA9CA7CA14
SCHEMBL6540549 0.90 CA1 (0.48) CA1CA2CA9CA7CA14
SCHEMBL6540276 0.89 CA1 (0.55) CA1CA2CA9CA7CA14
SCHEMBL6540407 0.89 CA1 (0.47) CA1CA2CA9CA7CA14
SCHEMBL6540879 0.86 USP2 (0.47) CA1CA2CA9CA7CA14
SCHEMBL6541135 0.86 TSHR (0.50) CA1CA2CA9CA7CA14
SCHEMBL6801180 0.86 CA1 (0.45) CA1CA2CA9CA7CA14
SCHEMBL6677713 0.84 CA1 (0.43) CA1CA2CA9CA7CA14
SCHEMBL10593239 0.83 MAPT (0.64) CA1CA2CA9CA7CA14
SCHEMBL6678034 0.82 CA1 (0.42) CA1CA2CA9CA7CA14

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 4 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
US-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 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 (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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 CA1 4181/4885CA2 2242/4885CA9 3759/4885
US-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 CA1 2450/4885CA2 696/4885CA9 1808/4885

“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.