SCHEMBL19970488

SCHEMBL19970488

O=C(O)C1=CC2(CC[C@H]1SCc1cccc(Cl)c1)O[C@H](CO)[C@@H](CO)O2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.36
PTPRG P23470 1/20 0.36
THRB P10828 3/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.33
HSD11B1 P28845 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPHX2 P34913 1/20 0.33
TP53 P04637 3/20 0.33
LMNA P02545 2/20 0.33
SLC29A1 Q99808 1/20 0.33
MAPT P10636 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
GLA P06280 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AR P10275 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32

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
SCHEMBL19970483 1.00 PTPRC (0.36) PTPRCPTPRGTHRBHPGDALDH1A1
SCHEMBL19970508 0.79 TAS2R14 (0.34) HSD11B1EPHX2TP53SIGMAR1GLA
SCHEMBL19970486 0.79 TAS2R14 (0.34) HSD11B1EPHX2TP53SIGMAR1GLA
SCHEMBL19970524 0.79 TAS2R14 (0.34) HSD11B1EPHX2TP53SIGMAR1GLA
SCHEMBL19982522 0.74 ALDH1A1 (0.35) THRBHPGDALDH1A1LMNAKMT2A
SCHEMBL18204496 0.73 PDPK1 (0.33)
SCHEMBL18204517 0.73 PDPK1 (0.33)
SCHEMBL18204550 0.73 PDPK1 (0.33)
SCHEMBL18204507 0.71 POLB (0.32)
SCHEMBL18204515 0.71 POLB (0.32)

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
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 PTPRC 41/4885PTPRG 347/4885THRB 1519/4885

“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.