SCHEMBL18329311

SCHEMBL18329311

c1coc(C2SCCS2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
POLB P06746 4/20 0.42
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CHRM5 P08912 10/20 0.41
CHRM3 P20309 10/20 0.41
CHRM1 P11229 9/20 0.41
CHRM2 P08172 9/20 0.41
CHRM4 P08173 9/20 0.41
ALDH1A1 P00352 4/20 0.41
RECQL P46063 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
BLM P54132 1/20 0.41
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BRD4 O60885 2/20 0.40

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
SCHEMBL10958978 0.72 GAA (0.39) GAAPOLBMAPTTDP1KMT2A
SCHEMBL10955537 0.71 ALDH1A1 (0.42) GAAPOLBMAPTTDP1KMT2A
SCHEMBL22198801 0.70 CYP2E1 (0.50) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL10898596 0.70 GAA (0.51) GAAPOLBMAPTTDP1KMT2A
SCHEMBL3258927 0.70 POLB (0.48) GAAPOLBMAPTTDP1KMT2A
SCHEMBL28941639 0.69 ALDH1A1 (0.39) GAAPOLBMAPTTDP1KMT2A
SCHEMBL21402172 0.69
SCHEMBL8646945 0.67 BRD4 (0.43) GAAPOLBMAPTTDP1KMT2A
SCHEMBL9534606 0.67 ALDH1A1 (0.46) GAAPOLBMAPTTDP1KMT2A
SCHEMBL6940138 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386935-B1 PRODUCTION OF XYLENE DERIVATIVES RHODIA OPERATIONS (FR) 2021-12-01 EP disclosed
WO-2021114207-A1 PRODUCTION OF BENZENE DERIVATIVES RHODIA OPERATIONS (FR) 2021-06-17 WO disclosed
US-10815245-B2 Production of xylene derivatives RHODIA OPERATIONS (FR) 2020-10-27 US disclosed
US-10100145-B1 Amorphous polyester from bio-based bis-furan assembly THE UNIVERSITY OF TOLEDO (US) 2018-10-16 US disclosed
WO-2017097220-A1 PRODUCTION OF XYLENE DERIVATIVES RHODIA OPERATIONS (FR) 2017-06-15 WO disclosed
WO-2017096559-A1 PRODUCTION OF XYLENE DERIVATIVES RHODIA OPERATIONS (FR) 2017-06-15 WO disclosed
US-9527952-B1 Amorphous polyester from bio-based bis-furan assembly THE UNIVERSITY OF TOLEDO (US) 2016-12-27 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-10815245-B2 Production of xylene derivatives DCXR, XDH, HPD GAA 3188/4885POLB 2367/4885MAPT 1516/4885
US-10100145-B1 Amorphous polyester from bio-based bis-furan assembly FASN, PGD, ACMSD GAA 1839/4885POLB 2967/4885MAPT 1699/4885

“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.