SCHEMBL6540228

SCHEMBL6540228

COC(=O)c1ccc(-c2ccc(S(=O)(=O)c3ccc(CCNC(=O)C(F)(F)F)cc3)cc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.43
RORC P51449 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
CA14 Q9ULX7 1/20 0.40
NAMPT P43490 1/20 0.39
PTGS2 P35354 1/20 0.39
ABCB11 O95342 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
MGLL Q99685 1/20 0.38
CA4 P22748 1/20 0.38
NLRP3 Q96P20 1/20 0.38
CYP4A11 Q02928 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 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
SCHEMBL6540876 0.90 CA12 (0.41) CA1CA2CA9CA12NAMPT
SCHEMBL6541141 0.81 NLRP3 (0.49) NAMPTNLRP3
SCHEMBL3005286 0.79 MGLL (0.56) MGLLCYP4A11
SCHEMBL6540276 0.78 CA1 (0.55) CA1CA2CA9CA12CA14
SCHEMBL6540889 0.78 CA1 (0.40) CA1CA2CA9CA12ABCB11
SCHEMBL6680430 0.75 ALK (0.47) NAMPTNLRP3
SCHEMBL6541199 0.75 CA1 (0.40) CA1CA2CA9NLRP3
SCHEMBL6540614 0.75 MTNR1A (0.54) TRPV1
SCHEMBL6541275 0.75 PTPN1 (0.47) ADRB3
SCHEMBL6540265 0.74 NAMPT (0.46) CA1CA2CA9CA12NAMPT

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 MCHR1 2773/4885RORC 2960/4885CA1 4181/4885

“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.