SCHEMBL2570283

SCHEMBL2570283

O=c1c2[nH]ccc2nc(SCCCS(=O)(=O)CC2CC2)n1-c1ccc(OCC2CC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
TP53 P04637 5/20 0.33
LMNA P02545 3/20 0.33
KMT2A Q03164 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PDE7A Q13946 1/20 0.32
FADS1 O60427 1/20 0.32
BRD4 O60885 2/20 0.31
GAA P10253 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL2566165 0.92 TSHR (0.38) TSHRTP53LMNAKMT2AALDH1A1
SCHEMBL2567318 0.91 TSHR (0.36) TSHRTP53LMNAKMT2AADORA3
SCHEMBL2566661 0.90 FADS1 (0.42) TSHRTP53LMNAKMT2AALDH1A1
SCHEMBL2566162 0.88 TSHR (0.35) TSHRTP53LMNAKMT2AALDH1A1
SCHEMBL2566036 0.85 TP53 (0.38) TSHRTP53LMNAKMT2AALDH1A1
SCHEMBL2997987 0.84 TSHR (0.40) TSHRTP53LMNAKMT2AALDH1A1
SCHEMBL2990464 0.83 TSHR (0.35) TSHRTP53LMNAKMT2AALDH1A1
SCHEMBL2569802 0.83 TSHR (0.35) TSHRTP53LMNAKMT2AALDH1A1
SCHEMBL2568131 0.83 TSHR (0.46) TSHRTP53LMNAKMT2AALDH1A1
SCHEMBL3004162 0.83 TSHR (0.36) TSHRTP53LMNAKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382218-A1 DELTA-5-DESATURASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-11-02 EP disclosed
WO-2010087467-A1 DELTA-5-DESATURASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 WO disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190747-A1 Fused ring compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 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-20100190747-A1 Fused ring compound and use thereof CYP46A1, LTB4R2, PTGES TSHR 4543/4885TP53 836/4885LMNA 4027/4885

“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.