SCHEMBL5281915

SCHEMBL5281915

O=C(CNc1ccccc1S(=O)(=O)c1ccccc1)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.48
MMP2 P08253 5/20 0.36
MMP12 P39900 5/20 0.36
MMP13 P45452 5/20 0.36
MMP14 P50281 5/20 0.36
MMP8 P22894 4/20 0.36
MMP16 P51512 4/20 0.36
MMP9 P14780 4/20 0.36
MMP1 P03956 3/20 0.36
MMP3 P08254 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA12 O43570 2/20 0.36
CA7 P43166 1/20 0.36
ABCC9 O60706 1/20 0.35

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
SCHEMBL5281876 0.86 ADRA1A (0.41) CA1CA2CA12CA7CA9
SCHEMBL5286168 0.84 HTR6 (0.55) HTR6MMP2MMP12MMP13MMP14
SCHEMBL702691 0.78 HTR6 (0.57) HTR6MMP2MMP12MMP13MMP14
SCHEMBL5283950 0.76 PKM (0.49) MMP2MMP12MMP13MMP14MMP8
SCHEMBL5568656 0.75 HTR6 (0.44) HTR6MMP2MMP12MMP13MMP14
SCHEMBL5291468 0.74 MAPT (0.43) ALDH1A1HTT
SCHEMBL699183 0.72 HTR6 (0.50) HTR6MMP2MMP12MMP13MMP14
SCHEMBL6609387 0.72 KMT2A (0.56) HTR6ALDH1A1PKM
SCHEMBL5283947 0.68 ADRA1A (0.47) KDM4EALDH1A1GAAHPGDCA1
SCHEMBL10893891 0.68 HTR6 (0.64) HTR6KDM4EALDH1A1PKMHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 HTR6 3695/4885MMP2 1558/4885MMP12 1035/4885

“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.