SCHEMBL21189796

SCHEMBL21189796

CN(C)C(=S)Oc1ccc(Cl)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 1/20 0.38
NCEH1 Q6PIU2 2/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 4/20 0.35
MAPT P10636 2/20 0.35
NR1I2 O75469 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2B P41595 1/20 0.35
CYP51A1 Q16850 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RAB9A P51151 4/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33

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
SCHEMBL19665349 0.80 NCEH1 (0.37) NCEH1ALDH1A1LMNAMAPTNR1I2
SCHEMBL396571 0.79 RAB9A (0.42) NCEH1ALDH1A1LMNAMAPTNR1I2
SCHEMBL30015282 0.76 MRGPRX4 (0.40) SLC5A2LMNAMAPTNR1I2CYP1A2
SCHEMBL22829874 0.76 MRGPRX4 (0.40) SLC5A2LMNAMAPTNR1I2CYP1A2
SCHEMBL4931670 0.75 RAB9A (0.35) NCEH1ALDH1A1LMNAMAPTNR1I2
SCHEMBL4072743 0.75 NCEH1 (0.66) NCEH1ALDH1A1LMNAMAPTNR1I2
SCHEMBL12482838 0.74 ALDH1A1 (0.45) SLC5A2ALDH1A1LMNAMAPTCYP1A2
SCHEMBL12316409 0.74 LMNA (0.47) LMNAMAPTCYP3A4MAPK1TDP1
SCHEMBL2874915 0.73 ALDH1A1 (0.46) NCEH1ALDH1A1LMNAMAPTCYP1A2
SCHEMBL3756164 0.73 AR (0.47)

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-10988502-B2 Alpha-D-galactoside inhibitors of galectins GALECTO BIOTECH AB (DK) 2021-04-27 US disclosed
US-20190225638-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS GALECTO BIOTECH AB (DK) 2019-07-25 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 (2 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-20190225638-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS LGALS1, LGALS2, LGALS3 SLC5A2 721/4885NCEH1 1103/4885ALDH1A1 561/4885
US-10988502-B2 Alpha-D-galactoside inhibitors of galectins LGALS1, LGALS2, LGALS3 SLC5A2 721/4885NCEH1 1103/4885ALDH1A1 561/4885

“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.