SCHEMBL19970487

SCHEMBL19970487

O=C(O)C1=CC2(CCC1S(=O)(=O)Cc1cc(F)ccc1Cl)O[C@H](CO)[C@@H](CO)O2

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.33
PSEN2 P49810 3/20 0.33
APH1B Q8WW43 3/20 0.33
NCSTN Q92542 3/20 0.33
APH1A Q96BI3 3/20 0.33
PSENEN Q9NZ42 3/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
P2RX7 Q99572 1/20 0.31
CYP2D6 P10635 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
P2RX4 Q99571 1/20 0.30

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
SCHEMBL19970535 0.93 ALDH1A1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19970497 0.93 ALDH1A1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20111183 0.88 TLR4 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19970505 0.87 P2RX7 (0.31) P2RX7
SCHEMBL19970519 0.86 LMNA (0.36) ALDH1A1GAACYP2C19
SCHEMBL19970533 0.86 LMNA (0.36) ALDH1A1GAACYP2C19
SCHEMBL19970525 0.86 LMNA (0.36) ALDH1A1GAACYP2C19
SCHEMBL19970489 0.86 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19970476 0.83 GRM2 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19970499 0.82 KMT2A (0.37) ALDH1A1GAAP2RX7CYP2D6PKM

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 PSEN1 4196/4885PSEN2 4444/4885APH1B 3046/4885

“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.