SCHEMBL6800370

SCHEMBL6800370

C[C@H](Cc1ccc(S(=O)(=O)c2ccc(Oc3ccccc3)cc2C=O)cc1)NC(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.44
ACACB O00763 3/20 0.44
MMP2 P08253 12/20 0.40
MMP13 P45452 12/20 0.40
MMP1 P03956 7/20 0.40
MMP9 P14780 3/20 0.38
MMP8 P22894 3/20 0.38
MMP12 P39900 3/20 0.38
MMP14 P50281 3/20 0.38
MMP16 P51512 3/20 0.38
MMP3 P08254 2/20 0.38
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36

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
SCHEMBL6805179 0.89 CNR1 (0.56) CNR1ACACB
SCHEMBL6683466 0.87 CNR1 (0.46) CNR1ACACBMMP2MMP13MMP1
SCHEMBL6804246 0.85 CNR1 (0.43) CNR1ACACBPDK1PDK2PDK3
SCHEMBL6677068 0.83 CNR1 (0.42) CNR1ACACBMMP2MMP13MMP1
SCHEMBL6805279 0.83 CNR1 (0.42) CNR1ACACB
SCHEMBL6676495 0.81 ALDH1A1 (0.47) CNR1ACACBMMP2MMP9
SCHEMBL6805002 0.78 CNR1 (0.40) CNR1ACACB
SCHEMBL6805221 0.77 ACACB (0.48) CNR1ACACB
SCHEMBL6683086 0.77 CNR1 (0.57) CNR1ACACB
SCHEMBL6679820 0.76 CNR1 (0.47) CNR1ACACB

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 CNR1 112/4885ACACB 1800/4885MMP2 3633/4885

“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.