SCHEMBL19970513

SCHEMBL19970513

O=C(NC[C@H]1COC2(C=C(C(=O)O)C(S(=O)(=O)Cc3ccc(F)cc3Cl)CC2)O1)OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.36
P2RX7 Q99572 5/20 0.35
KCNA5 P22460 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
TGM2 P21980 3/20 0.32
F13A1 P00488 1/20 0.32
TGM1 P22735 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31
HTR2A P28223 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
SCHEMBL20111190 0.93 TLR4 (0.37) RORCP2RX7KCNA5KMT2A
SCHEMBL19970506 0.85 P2RX7 (0.36) RORCP2RX7KCNA5TGM2CYP1A2
SCHEMBL19970509 0.83 ALDH1A1 (0.35) P2RX7ALDH1A1GAAKMT2ACYP1A2
SCHEMBL20111187 0.81 TLR4 (0.39) RORCALDH1A1GAACYP1A2
SCHEMBL19970520 0.77 ALDH1A1 (0.32) ALDH1A1GAA
SCHEMBL19970497 0.75 ALDH1A1 (0.37) P2RX7ALDH1A1GAAKMT2ACYP1A2
SCHEMBL19970495 0.74 CYP2D6 (0.34) P2RX7ALDH1A1GAAKMT2AHTR2A
SCHEMBL19970490 0.73 ALDH1A1 (0.32) ALDH1A1GAAKMT2A
SCHEMBL19970529 0.72 MAPT (0.34) RORCP2RX7ALDH1A1GAAKMT2A
SCHEMBL4153914 0.72 TLR4 (0.48) KMT2ACYP1A2

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 1169/4885P2RX7 57/4885KCNA5 1863/4885

“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.