SCHEMBL21965036

SCHEMBL21965036

CS(=O)(=O)c1ccccc1/N=C\I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.38
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
ADRA1A P35348 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
LOX P28300 1/20 0.32
DRD2 P14416 1/20 0.31
HSD11B1 P28845 1/20 0.31
LMNA P02545 1/20 0.31
PLCG1 P19174 1/20 0.31
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL11410987 0.78 CA2 (0.47) ALDH1A1POLBCA1CA2CA9
SCHEMBL7054824 0.75 ALDH1A1 (0.38) BCAT2ALDH1A1POLBADRA1ABRD9
SCHEMBL9913443 0.75 ALDH1A1 (0.38) BCAT2ALDH1A1POLBADRA1ABRD9
SCHEMBL9768569 0.74 ALDH1A1 (0.37) BCAT2ALDH1A1POLBADRA1ABRD9
SCHEMBL11414965 0.72 CA12 (0.38) ALDH1A1CA1CA2CA9LMNA
SCHEMBL8106699 0.71 LOX (0.47) BCAT2ALDH1A1ADRA1ACA1CA2
SCHEMBL10411478 0.71 CYP3A4 (0.50) BCAT2ALDH1A1POLBADRA1ACA1
SCHEMBL11410074 0.70 PTGS2 (0.42) ALDH1A1POLBCA1CA2CA7
SCHEMBL26116950 0.69 ALDH1A1 (0.67) BCAT2ALDH1A1POLBADRA1ACA1
SCHEMBL11409300 0.69 ALDH1A1 (0.47) ALDH1A1POLBCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10626081-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2020-04-21 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-10626081-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 BCAT2 2653/4885ALDH1A1 2205/4885POLB 4062/4885

“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.