SCHEMBL19970515

SCHEMBL19970515

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Cc1ccc(F)cc1Cl)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 9/20 0.46
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
EPHX2 P34913 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL20111179 0.91 TLR4 (0.46) TLR4ALDH1A1GAACYP2C19CYP2D6
SCHEMBL20111169 0.89 TLR4 (0.44) TLR4ALDH1A1GAACYP2C19CYP2D6
SCHEMBL14216749 0.89 TLR4 (0.44) TLR4ALDH1A1GAACYP2C19CYP2D6
SCHEMBL20111173 0.88 TLR4 (0.42) TLR4ALDH1A1GAACYP2C19CYP2D6
SCHEMBL20111172 0.88 TLR4 (0.44) TLR4ALDH1A1GAACYP2C19CYP2D6
SCHEMBL20111174 0.87 TLR4 (0.43) TLR4ALDH1A1GAACYP2C19CYP2D6
SCHEMBL20111177 0.84 TLR4 (0.41) TLR4ALDH1A1GAACYP2C19CYP2D6
SCHEMBL1863576 0.83 TLR4 (0.68) TLR4ALDH1A1GAALMNAKMT2A
SCHEMBL20111183 0.82 TLR4 (0.42) TLR4GAACYP2C19CYP2D6PKM
SCHEMBL20111187 0.81 TLR4 (0.39) TLR4ALDH1A1GAACYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118708-A1 CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 US disclosed
US-20180118708-A1 CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 US disclosed
US-20180118708-A1 CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 US disclosed
EP-3296296-A1 CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-03-21 EP 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-20180118708-A1 CYCLIC COMPOUND TLR4, TLR3, TLR9 TLR4 1/4885ALDH1A1 973/4885GAA 4730/4885

“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.