SCHEMBL19970529

SCHEMBL19970529

CC(C)(C)OC(=O)NCC(=O)OC[C@H]1OC2(C=C(C(=O)O)C(S(=O)(=O)Cc3ccc(F)cc3Cl)CC2)O[C@@H]1COC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RORC P51449 1/20 0.34
KDM4D Q6B0I6 1/20 0.32
CYP2D6 P10635 1/20 0.32
PKM P14618 1/20 0.32
CYP2C19 P33261 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31

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
SCHEMBL19970490 0.86 ALDH1A1 (0.32) ALDH1A1CYP2D6PKMCYP2C19GAA
SCHEMBL19970494 0.86 ALDH1A1 (0.34) MAPTALDH1A1TP53CYP2D6PKM
SCHEMBL19970492 0.85 IDO1 (0.36) MAPTALDH1A1TP53HPGDHTT
SCHEMBL19970495 0.84 CYP2D6 (0.34) MAPTALDH1A1CYP2D6PKMCYP2C19
Trifluoroacetic Acid SCHEMBL19970480 0.84 ALDH1A1 (0.30) ALDH1A1GAAP2RX4
SCHEMBL19970530 0.83 RORC (0.40) MAPTALDH1A1TP53GLAHPGD
SCHEMBL19970497 0.80 ALDH1A1 (0.37) MAPTALDH1A1HPGDCYP2D6PKM
SCHEMBL19970535 0.80 ALDH1A1 (0.37) MAPTALDH1A1HPGDCYP2D6PKM
SCHEMBL19970499 0.80 KMT2A (0.37) MAPTALDH1A1CYP2D6PKMCYP2C19
SCHEMBL20111177 0.79 TLR4 (0.41) MAPTALDH1A1CYP2D6PKMCYP2C19

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 MAPT 3713/4885ALDH1A1 973/4885TP53 562/4885

“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.