SCHEMBL7041807

SCHEMBL7041807

CCOC(=O)c1sc(SC)c2c1CCC(C(OCC)OCC)C2=O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
ADORA3 P0DMS8 1/20 0.52
KDM4E B2RXH2 3/20 0.52
ADORA2A P29274 1/20 0.41
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL6998612 0.89 KDM4E (0.50) NPSR1MEN1KMT2AADORA3KDM4E
SCHEMBL7246718 0.88 MEN1 (0.46) NPSR1MEN1KMT2AADORA3KDM4E
SCHEMBL7248984 0.86 NPSR1 (0.44) NPSR1MEN1KMT2AADORA3KDM4E
SCHEMBL6987780 0.83 NPSR1 (0.63) NPSR1MEN1KMT2AADORA3KDM4E
SCHEMBL7241569 0.81 MEN1 (0.39) NPSR1MEN1KMT2AADORA3KDM4E
SCHEMBL6996404 0.79 NPSR1 (0.58) NPSR1MEN1KMT2AADORA3KDM4E
SCHEMBL7244214 0.79 MEN1 (0.38) NPSR1MEN1KMT2AADORA3KDM4E
SCHEMBL7036685 0.77 ADORA2A (0.46) NPSR1MEN1KMT2AKDM4EADORA2A
SCHEMBL7041221 0.77 ADORA2A (0.42) NPSR1MEN1KMT2AADORA3KDM4E
SCHEMBL7244568 0.75 NPSR1 (0.95) NPSR1MEN1KMT2AADORA3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030185878-A1 Process for producing phospholipid-containing drug TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
US-20030158245-A1 Fused heterocyclic derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-21 US disclosed
EP-1293197-A1 PROCESS FOR PRODUCING PHOSPHOLIPID-CONTAINING DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 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 (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-20030185878-A1 Process for producing phospholipid-containing drug PHOSPHO1, PLTP, PTDSS2 NPSR1 2141/4885MEN1 3398/4885KMT2A 2693/4885
US-20030158245-A1 Fused heterocyclic derivatives, their production and use TST, STS, AHR NPSR1 857/4885MEN1 3625/4885KMT2A 3605/4885

“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.