SCHEMBL4928818

SCHEMBL4928818

CC(C)Oc1ccc(S)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 1/20 0.41
PARP10 Q53GL7 1/20 0.40
BRD4 O60885 1/20 0.40
BRPF1 P55201 1/20 0.40
ALDH1A3 P47895 1/20 0.38
CPS1 P31327 1/20 0.38
POLB P06746 1/20 0.38
MAOB P27338 1/20 0.38
GLA P06280 1/20 0.37
KAT6A Q92794 1/20 0.37
PDK2 Q15119 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SYK P43405 1/20 0.36
FFAR4 Q5NUL3 4/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL1020456 0.81 ALDH1A1 (0.47) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL30829775 0.81 ALDH1A1 (0.47) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL11963662 0.78 ALDH1A1 (0.44) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL2088803 0.77 CYP1A2 (0.46) ALDH1A1KMT2ACPS1KDM4EHSD17B10
SCHEMBL14949898 0.76 ALDH1A1 (0.43) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL3060647 0.76 ALDH1A1 (0.43) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL5018932 0.76 ALDH1A1 (0.43) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL4932356 0.76 SLC6A4 (0.49) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL6305238 0.76 ALDH1A1 (0.45) ALDH1A1KMT2APARP10BRD4BRPF1
SCHEMBL8208073 0.76 ALDH1A1 (0.47) ALDH1A1KMT2APARP10BRD4BRPF1

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-20080139484-A1 1(Beta-D-Glycopyranosyl)-3-Substituted Nitrogenous Heterocyclic Compound, Medicinal Composition Containing the Same, and Medicinal Use Thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-06-12 US disclosed
EP-1803729-A1 1-( -D-GLYCOPYRANOSYL)-3-SUBSTITUTED NITROGENOUS HETEROCYCLIC COMPOUND, MEDICINAL COMPOSITION CONTAINING THE SAME, AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2007-07-04 EP 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-20080139484-A1 1(Beta-D-Glycopyranosyl)-3-Substituted Nitrogenous Heterocyclic Compound, Medicinal Composition Containing the Same, and Medicinal Use Thereof SLC5A1, SLC5A2, UGGT1 ALDH1A1 853/4885KMT2A 862/4885PARP10 2174/4885

“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.