SCHEMBL6806399

SCHEMBL6806399

O=C(NCCCc1ccc(S(=O)(=O)c2ccc(O)c(O)c2)cc1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.43
CA1 P00915 3/20 0.43
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
ALDH1A1 P00352 4/20 0.41
POLB P06746 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TRPV1 Q8NER1 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 3/20 0.38
ALOX12 P18054 2/20 0.38
MLYCD O95822 1/20 0.38
GLA P06280 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL6540877 0.93 CA1 (0.50) CA2CA1CA7CA9CA14
SCHEMBL6805570 0.90 CA1 (0.47) CA2CA1CA7CA9ALDH1A1
SCHEMBL6692212 0.90 ESRRG (0.41) CA2CA1CA9ALDH1A1POLB
SCHEMBL6678475 0.89 ALDH1A1 (0.42) CA2CA1ALDH1A1POLBSMN1; SMN2
SCHEMBL6803966 0.86 RAB9A (0.44) CA2CA1CA7CA9CA14
SCHEMBL6676661 0.83 MTNR1A (0.43) CA2CA1POLBTRPV1MTNR1A
SCHEMBL6540549 0.83 CA1 (0.48) CA2CA1CA7CA9CA14
SCHEMBL6677428 0.82 MTNR1A (0.47) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL6540407 0.82 CA1 (0.47) CA2CA1CA7CA9CA14
SCHEMBL6540276 0.82 CA1 (0.55) CA2CA1CA7CA9CA14

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 CA2 696/4885CA1 2450/4885CA7 1805/4885

“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.