SCHEMBL6804601

SCHEMBL6804601

CCc1cc(S(=O)(=O)c2ccc(C[C@@H](C)N)cc2)ccc1-c1cccc(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.42
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MME P08473 1/20 0.40
MMEL1 Q495T6 1/20 0.40
PLA2G2A P14555 1/20 0.39

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
SCHEMBL6810003 0.83 CA1 (0.39) FOLH1CA1CA2CA9PLA2G2A
SCHEMBL6809999 0.78 SYK (0.41) PLA2G2A
SCHEMBL6539936 0.77 ANPEP (0.51) CA1CA2CA9
SCHEMBL6680807 0.77 AKR1C3 (0.48) AKR1C3
SCHEMBL6682568 0.76 AKR1C3 (0.52) AKR1C3
SCHEMBL6809995 0.75 CA2 (0.49) CA1CA2CA9
SCHEMBL6804596 0.74 CA2 (0.50) CA1CA2CA9
Hydrochloric Acid SCHEMBL6800412 0.73 TAAR1 (0.39) AKR1C2
Hydrochloric Acid SCHEMBL6800406 0.73 TAAR1 (0.39) AKR1C2
SCHEMBL6804598 0.73 LTB4R2 (0.40) CA1CA2CA9

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 FOLH1 507/4885AKR1C3 383/4885AKR1C2 167/4885

“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.