SCHEMBL2056966

SCHEMBL2056966

COc1cccc(-c2nc(C)sc2C(=O)N2CCSC2C(N)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.43
HCRTR2 O43614 7/20 0.43
BRAF P15056 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 3/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GRM5 P41594 2/20 0.38

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
SCHEMBL2056940 0.87 HCRTR1 (0.40) HCRTR1HCRTR2KMT2ARAB9ASMN1; SMN2
SCHEMBL2056831 0.86 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL2056724 0.86 HCRTR1 (0.43) HCRTR1HCRTR2BRAFPDE4APDE4B
SCHEMBL2056910 0.85 HCRTR1 (0.44) HCRTR1HCRTR2MEN1KMT2ASMN1; SMN2
SCHEMBL2635804 0.83 HCRTR1 (0.48) HCRTR1HCRTR2HPGDNPC1RAB9A
SCHEMBL2634959 0.82 HCRTR1 (0.49) HCRTR1HCRTR2PDE4APDE4BPDE4C
SCHEMBL2056852 0.81 HCRTR1 (0.41) HCRTR1HCRTR2NPC1RAB9ASMN1; SMN2
SCHEMBL2056915 0.79 HCRTR1 (0.42) HCRTR1HCRTR2HPGDNPC1TP53
SCHEMBL2635038 0.78 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL2635815 0.77 HCRTR1 (0.45) HCRTR1HCRTR2HPGDNPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US claimed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 WO claimed
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 WO 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR HCRTR1 2/4885HCRTR2 1/4885BRAF 4346/4885

“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.