SCHEMBL21486317

SCHEMBL21486317

C[C@@H](CO)CS(=O)(=O)c1nnnn1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.58
MAPT P10636 8/20 0.58
LMNA P02545 5/20 0.53
TP53 P04637 5/20 0.53
HTT P42858 4/20 0.53
NPSR1 Q6W5P4 3/20 0.53
HPGD P15428 3/20 0.53
HSD17B10 Q99714 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 2/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
GFER P55789 1/20 0.42
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
PTPRB P23467 1/20 0.40

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
SCHEMBL21482480 0.83 ALDH1A1 (0.61) ALDH1A1MAPTLMNATP53HTT
SCHEMBL21482478 0.82 ALDH1A1 (0.59) ALDH1A1MAPTLMNATP53HTT
SCHEMBL12464772 0.82 ALDH1A1 (0.56) ALDH1A1MAPTLMNATP53HTT
SCHEMBL12398239 0.82 ALDH1A1 (0.56) ALDH1A1MAPTLMNATP53HTT
SCHEMBL21464524 0.81 ALDH1A1 (0.52) ALDH1A1MAPTLMNATP53HTT
SCHEMBL12398243 0.81 ALDH1A1 (0.58) ALDH1A1MAPTLMNATP53HTT
SCHEMBL25761013 0.81 ALDH1A1 (0.58) ALDH1A1MAPTLMNATP53HTT
SCHEMBL21482692 0.81 ALDH1A1 (0.49) ALDH1A1MAPTLMNATP53HTT
SCHEMBL21482468 0.80 ALDH1A1 (0.51) ALDH1A1MAPTLMNATP53HTT
SCHEMBL2978401 0.79 ALDH1A1 (0.71) ALDH1A1MAPTLMNATP53HTT

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-20210163456-A1 CERTAIN PLADIENOLIDE COMPOUNDS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-06-03 US disclosed
WO-2019199667-A2 CERTAIN PLADIENOLIDE COMPOUNDS AND METHODS OF USE KEANEY GREGG F (US) 2019-10-17 WO 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-20210163456-A1 CERTAIN PLADIENOLIDE COMPOUNDS AND METHODS OF USE PLAAT5, PLAAT3, PLAAT4 ALDH1A1 3225/4885MAPT 4316/4885LMNA 806/4885

“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.