SCHEMBL19970530

SCHEMBL19970530

CC(C)(C)OC(=O)NC[C@@H]1COC2(C=C(C(=O)O)C(S(=O)(=O)Cc3ccc(F)cc3Cl)CC2)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 12/20 0.40
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4D Q6B0I6 1/20 0.34
GAA P10253 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
CYP2D6 P10635 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL20111187 0.92 TLR4 (0.39) RORCALDH1A1TP53GLAMAPT
SCHEMBL19970513 0.87 RORC (0.36) RORCALDH1A1GAA
SCHEMBL19970498 0.85 RORC (0.36) RORCALDH1A1TP53HPGDHTT
SCHEMBL19970509 0.84 ALDH1A1 (0.35) ALDH1A1MAPTHPGDGAAPSEN1
SCHEMBL19970529 0.83 MAPT (0.34) RORCALDH1A1TP53GLAMAPT
SCHEMBL20111190 0.81 TLR4 (0.37) RORCCYP2D6PKMCYP2C19
SCHEMBL19970499 0.79 KMT2A (0.37) ALDH1A1MAPTGAACYP2D6PKM
SCHEMBL19970520 0.78 ALDH1A1 (0.32) ALDH1A1GAA
SCHEMBL20111172 0.77 TLR4 (0.44) ALDH1A1TP53MAPTHTTGAA
SCHEMBL19970494 0.77 ALDH1A1 (0.34) ALDH1A1TP53MAPTGAAPSEN1

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 RORC 1169/4885ALDH1A1 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.