SCHEMBL6803966

SCHEMBL6803966

COC(=O)c1cc(S(=O)(=O)c2ccc(CCCNC(=O)C(F)(F)F)cc2)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.39
KDM4E B2RXH2 3/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37

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
SCHEMBL6679300 0.89 NLRP3 (0.42) KDM4EGAAALDH1A1
SCHEMBL6678475 0.88 ALDH1A1 (0.42) RAB9AKDM4ECA1CA2POLB
SCHEMBL6806399 0.86 CA2 (0.43) RAB9AMTNR1AMTNR1BPTGS1KDM4E
SCHEMBL6692212 0.85 ESRRG (0.41) MTNR1AMTNR1BCA1CA2CA12
SCHEMBL6676661 0.83 MTNR1A (0.43) MTNR1AMTNR1BCA1CA2POLB
SCHEMBL6805570 0.83 CA1 (0.47) CA1CA2CA7CA9POLB
SCHEMBL6541474 0.81 POLB (0.50) MTNR1AMTNR1BCA1CA2CA12
SCHEMBL6678463 0.80 ABCC9 (0.54) MTNR1AMTNR1BMEN1KMT2A
SCHEMBL6677132 0.80 HTT (0.42) GAAALDH1A1HPGD
SCHEMBL6540879 0.80 USP2 (0.47) MTNR1AMTNR1BCA1CA2CA7

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 RAB9A 1610/4885MTNR1A 1674/4885MTNR1B 1266/4885

“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.