SCHEMBL6804598

SCHEMBL6804598

CCc1c(C(=O)O)cccc1-c1ccc(S(=O)(=O)c2ccc(CC(C)N)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 6/20 0.40
BRS3 P32247 3/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
SYK P43405 1/20 0.37
SLC6A2 P23975 2/20 0.37
TAAR1 Q96RJ0 2/20 0.37
MAOA P21397 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CYP2A6 P11509 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
DHODH Q02127 1/20 0.36

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
SCHEMBL6809999 0.91 SYK (0.41) BRS3ITGB1ITGA4SYK
SCHEMBL7065062 0.83 SYK (0.40) LTB4R2BRS3ITGB1ITGA4SYK
SCHEMBL6810123 0.82 POLB (0.39) ITGB1ITGA4SLC6A4
SCHEMBL6810129 0.82 POLB (0.39) ITGB1ITGA4SLC6A4
SCHEMBL6678451 0.81 SLC6A2 (0.42) LTB4R2BRS3CA1CA2CA9
SCHEMBL6810003 0.78 CA1 (0.39) CA1CA2CA9
SCHEMBL6805113 0.76 SYK (0.43) ITGB1ITGA4SYK
Hydrochloric Acid SCHEMBL6800406 0.76 TAAR1 (0.39) SLC6A2TAAR1MAOASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL6800412 0.76 TAAR1 (0.39) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL6539936 0.75 ANPEP (0.51) CA1CA2CA9SLC6A2TAAR1

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-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 LTB4R2 1688/4885BRS3 1784/4885CA1 2450/4885

“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.