SCHEMBL19970478

SCHEMBL19970478

Cc1cccc(CS(=O)(=O)C2CCC3(C=C2C(=O)O)O[C@@H](CO)[C@H](CO)O3)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.34
ACLY P53396 1/20 0.34
TP53 P04637 1/20 0.33
SLC5A2 P31639 3/20 0.33
LMNA P02545 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
GAA P10253 1/20 0.32
AKR1C3 P42330 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
SCHEMBL19970504 1.00 ALDH1A1 (0.40) ALDH1A1KMT2AMAPTTAS2R14ACLY
SCHEMBL20111185 0.89 POLB (0.36) ALDH1A1KMT2AMAPT
SCHEMBL20111175 0.89 POLB (0.36) ALDH1A1KMT2AMAPT
SCHEMBL19970508 0.88 TAS2R14 (0.34) KMT2ATAS2R14TP53AKR1C3
SCHEMBL19970486 0.88 TAS2R14 (0.34) KMT2ATAS2R14TP53AKR1C3
SCHEMBL19970476 0.81 GRM2 (0.38) ALDH1A1KMT2A
SCHEMBL19970507 0.81 P2RX7 (0.31)
SCHEMBL20111184 0.80 KMT2A (0.37) ALDH1A1KMT2AMAPTTP53LMNA
SCHEMBL19970525 0.78 LMNA (0.36) ALDH1A1KMT2AMAPTLMNAGAA
SCHEMBL19970497 0.75 ALDH1A1 (0.37) ALDH1A1KMT2AMAPTSLC5A2SLC6A2

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 ALDH1A1 973/4885KMT2A 3879/4885MAPT 3713/4885

“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.