SCHEMBL7246718

SCHEMBL7246718

CCCSc1sc(C(=O)OCC)c2c1C(=O)C(C(OCC)OCC)CC2

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ADORA2A P29274 1/20 0.44
ADORA3 P0DMS8 1/20 0.42
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.32
MAPT P10636 3/20 0.32
PKM P14618 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL7041807 0.88 NPSR1 (0.60) MEN1KMT2ANPSR1ADORA2AADORA3
SCHEMBL6991759 0.84 MEN1 (0.48) MEN1KMT2ANPSR1ADORA2AADORA3
SCHEMBL7248984 0.83 NPSR1 (0.44) MEN1KMT2ANPSR1ADORA2AADORA3
SCHEMBL7241569 0.80 MEN1 (0.39) MEN1KMT2ANPSR1ADORA2AADORA3
SCHEMBL6996296 0.80 MEN1 (0.44) MEN1KMT2ANPSR1ADORA2AADORA3
SCHEMBL7244214 0.78 MEN1 (0.38) MEN1KMT2ANPSR1ADORA2AADORA3
SCHEMBL6993107 0.78 MEN1 (0.47) MEN1KMT2ANPSR1ADORA2AADORA3
SCHEMBL6998612 0.77 KDM4E (0.50) MEN1KMT2ANPSR1ADORA2AADORA3
SCHEMBL4406057 0.77 MEN1 (0.76) MEN1KMT2ANPSR1ADORA2AADORA3
SCHEMBL7036685 0.75 ADORA2A (0.46) MEN1KMT2ANPSR1ADORA2AKDM4E

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-20030158245-A1 Fused heterocyclic derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-21 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-20030158245-A1 Fused heterocyclic derivatives, their production and use TST, STS, AHR MEN1 3625/4885KMT2A 3605/4885NPSR1 857/4885

“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.