SCHEMBL6809999

SCHEMBL6809999

CCc1c(C(=O)O)cccc1-c1cccc(S(=O)(=O)c2ccc(CC(C)N)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.41
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
LARS1 Q9P2J5 1/20 0.36
PLA2G10 O15496 4/20 0.36
PLA2G2A P14555 4/20 0.36
PLA2G1B P04054 1/20 0.36
PLA2G5 P39877 1/20 0.36
PLA2G2C Q5R387 1/20 0.36
PLA2G12B Q9BX93 1/20 0.36
PLA2G12A Q9BZM1 1/20 0.36
PLA2G2F Q9BZM2 1/20 0.36
PLA2G3 Q9NZ20 1/20 0.36
PLA2G2E Q9NZK7 1/20 0.36
PLA2G2D Q9UNK4 1/20 0.36
METAP2 P50579 1/20 0.35
BRS3 P32247 1/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE4B Q07343 1/20 0.34

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
SCHEMBL6804598 0.91 LTB4R2 (0.40) SYKITGB1ITGA4BRS3
SCHEMBL6805113 0.84 SYK (0.43) SYKITGB1ITGA4METAP2
SCHEMBL6810003 0.80 CA1 (0.39) PLA2G2A
SCHEMBL6810129 0.79 POLB (0.39) ITGB1ITGA4SMN1; SMN2
SCHEMBL6810123 0.79 POLB (0.39) ITGB1ITGA4SMN1; SMN2
SCHEMBL6678451 0.78 SLC6A2 (0.42) ITGB1ITGA4BRS3
SCHEMBL6804601 0.78 FOLH1 (0.42) PLA2G2A
SCHEMBL7065062 0.75 SYK (0.40) SYKITGB1ITGA4BRS3
Hydrochloric Acid SCHEMBL6800406 0.75 TAAR1 (0.39)
Hydrochloric Acid SCHEMBL6800412 0.75 TAAR1 (0.39)

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 SYK 4777/4885ITGB1 1912/4885ITGA4 2143/4885

“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.