SCHEMBL3215570

SCHEMBL3215570

CC1(C)OB(c2cccc3sc(CO)cc23)OC1(C)C.O=C(O)c1ccnc(-c2cccc3sc(CO)cc23)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 13/20 0.40
S1PR5 Q9H228 3/20 0.36
ROCK1 Q13464 1/20 0.36
KDM5B Q9UGL1 5/20 0.35
KDM5A P29375 3/20 0.35
KDM2B Q8NHM5 1/20 0.35
KDM5C P41229 4/20 0.35
KDM4A O75164 4/20 0.35
KDM3A Q9Y4C1 3/20 0.35
KDM4E B2RXH2 2/20 0.35
KDM6B O15054 2/20 0.35
KDM2A Q9Y2K7 2/20 0.35
KDM4B O94953 2/20 0.34
KDM4D Q6B0I6 1/20 0.33
JMJD6 Q6NYC1 1/20 0.33

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
SCHEMBL3215577 0.89 ALDH1A1 (0.37) S1PR5ROCK1JMJD6
SCHEMBL1850872 0.86 KDM4C (0.49) KDM4CS1PR5ROCK1KDM5BKDM5A
SCHEMBL3206270 0.83 KDM4C (0.40) KDM4CS1PR5KDM5BKDM5AKDM2B
SCHEMBL1851577 0.81 CYP2A6 (0.41) S1PR5
SCHEMBL3207183 0.79 KDM4C (0.38) KDM4CROCK1KDM5BKDM5AKDM2B
SCHEMBL1850714 0.76 KDM4E (0.49) KDM4CS1PR5ROCK1KDM5BKDM5C
SCHEMBL3206278 0.72 ALDH1A1 (0.35) JMJD6
SCHEMBL1850224 0.70 KDM4C (0.48) KDM4CS1PR5KDM5BKDM5AKDM2B
SCHEMBL3207187 0.69 JMJD6 (0.33) JMJD6
SCHEMBL1846917 0.69 GPR52 (0.57) KDM4CROCK1

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
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 KDM4C 2640/4885S1PR5 696/4885ROCK1 2151/4885

“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.