SCHEMBL24564744

SCHEMBL24564744

O=C(O)CSC1CCCCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 8/20 0.45
MAPK1 P28482 2/20 0.45
ALOX15 P16050 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 3/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
USP2 O75604 1/20 0.37
MITF O75030 1/20 0.36
KLF5 Q13887 1/20 0.36

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
SCHEMBL1200818 1.00 KMT2A (0.46) KMT2AALDH1A1MAPK1ALOX15L3MBTL1
SCHEMBL3706423 0.98 KMT2A (0.43) KMT2AALDH1A1MAPK1ALOX15L3MBTL1
SCHEMBL997207 0.87 CYP2D6 (0.43) KMT2AALDH1A1MAPK1ALOX15L3MBTL1
SCHEMBL31631322 0.87
SCHEMBL996829 0.84 ALDH1A1 (0.38) KMT2AALDH1A1MAPK1ALOX15L3MBTL1
SCHEMBL13934134 0.79 ALDH1A1 (0.47) KMT2AALDH1A1MAPK1ALOX15L3MBTL1
SCHEMBL20173448 0.79 ALDH1A1 (0.44) KMT2AALDH1A1MAPK1ALOX15L3MBTL1
SCHEMBL11266483 0.79 ALDH1A1 (0.44) KMT2AALDH1A1MAPK1ALOX15L3MBTL1
SCHEMBL27166971 0.79 ALDH1A1 (0.44) KMT2AALDH1A1MAPK1ALOX15L3MBTL1
SCHEMBL6704692 0.77 ALDH1A1 (0.46) KMT2AALDH1A1MAPK1ALOX15RAB9A

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-20220204471-A1 Compounds and Methods for Treating Autoimmune Disorders by Targeting HLA-DQ2 IMMUNOMOLECULAR THERAPEUTICS, INC. 2022-06-30 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-20220204471-A1 Compounds and Methods for Treating Autoimmune Disorders by Targeting HLA-DQ2 HLA-DRB1, CD74, HLA-B KMT2A 1995/4885ALDH1A1 3804/4885MAPK1 3671/4885

“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.