SCHEMBL15664687

SCHEMBL15664687

[CH2]CCCCCCS(=O)(=O)c1nnnn1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.61
MAPT P10636 9/20 0.61
HTT P42858 8/20 0.61
LMNA P02545 6/20 0.61
TP53 P04637 5/20 0.61
HSD17B10 Q99714 4/20 0.61
HPGD P15428 4/20 0.61
NPSR1 Q6W5P4 3/20 0.61
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 2/20 0.47
S1PR4 O95977 1/20 0.47
S1PR1 P21453 1/20 0.47
RAB9A P51151 1/20 0.47
PTPRB P23467 1/20 0.45
MEN1 O00255 2/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 2/20 0.39
GFER P55789 1/20 0.38
CCR6 P51684 1/20 0.38

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
SCHEMBL1980247 0.86 ALDH1A1 (0.61) ALDH1A1MAPTHTTLMNATP53
SCHEMBL1976898 0.86 ALDH1A1 (0.61) ALDH1A1MAPTHTTLMNATP53
SCHEMBL28102527 0.86 ALDH1A1 (0.61) ALDH1A1MAPTHTTLMNATP53
SCHEMBL16218976 0.86 ALDH1A1 (0.61) ALDH1A1MAPTHTTLMNATP53
SCHEMBL1975310 0.86 ALDH1A1 (0.61) ALDH1A1MAPTHTTLMNATP53
SCHEMBL17511740 0.84 ALDH1A1 (0.63) ALDH1A1MAPTHTTLMNATP53
SCHEMBL2966537 0.83 ALDH1A1 (0.64) ALDH1A1MAPTHTTLMNATP53
SCHEMBL27842842 0.83 ALDH1A1 (0.64) ALDH1A1MAPTHTTLMNATP53
SCHEMBL18797525 0.82 ALDH1A1 (0.60) ALDH1A1MAPTHTTLMNATP53
SCHEMBL22070796 0.80 ALDH1A1 (0.59) ALDH1A1MAPTHTTLMNATP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9945852-B2 Method for determining the presence or absence of a biomarker ARCIS BIOTECHNOLOGY HOLDINGS LIMITED (GB) 2018-04-17 US disclosed
EP-2705367-B1 METHOD FOR DETERMINING THE PRESENCE OR ABSENCE OF A BIOMARKER BANGOR UNIV (GB) 2017-04-26 EP disclosed
US-20140127709-A1 METHOD FOR DETERMINING THE PRESENCE OR ABSENCE OF A BIOMARKER BANGOR UNIVERSITY (GB) 2014-05-08 US 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-20140127709-A1 METHOD FOR DETERMINING THE PRESENCE OR ABSENCE OF A BIOMARKER CA14, CD63, CA12 ALDH1A1 1037/4885MAPT 2009/4885HTT 3270/4885

“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.