SCHEMBL6540840

SCHEMBL6540840

COc1ccc(S(=O)(=O)c2ccc(C[C@@H](C)NC(=O)C(F)(F)F)cc2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.45
MEP1B Q16820 1/20 0.44
CNR1 P21554 2/20 0.44
ACACB O00763 5/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TAS2R14 Q9NYV8 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
SCHEMBL6552876 0.90 ESR1 (0.39) NAMPTCNR1ACACBKMT2A
SCHEMBL6541239 0.89 CNR1 (0.44) NAMPTCNR1ACACB
SCHEMBL6541730 0.89 CNR1 (0.38) NAMPTCNR1ACACBMEN1KMT2A
SCHEMBL6806001 0.88 ACACB (0.45) NAMPTCNR1ACACBKMT2A
SCHEMBL6540590 0.88 ACACB (0.45) NAMPTCNR1ACACBKMT2A
SCHEMBL6541794 0.88 PTPN1 (0.44) NAMPTCNR1ACACB
SCHEMBL6552874 0.88 ESR1 (0.38) NAMPTCNR1ACACB
SCHEMBL6540415 0.86 CNR1 (0.40) CNR1ACACB
SCHEMBL6541208 0.84 CNR1 (0.56) CNR1ACACB
SCHEMBL6540898 0.83 ABCC9 (0.57) NAMPTMEP1BCNR1ACACB

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 NAMPT 4409/4885MEP1B 3466/4885CNR1 45/4885

“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.