SCHEMBL2056920

SCHEMBL2056920

COc1cccc(-c2oc(C)nc2C(=O)N2CCSC2CN)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.41
HCRTR1 O43613 8/20 0.40
HCRTR2 O43614 8/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
HPGD P15428 4/20 0.39
TSHR P16473 4/20 0.39
TP53 P04637 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
IKBKB O14920 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
SCD5 Q86SK9 1/20 0.38
KCNA5 P22460 1/20 0.36

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
SCHEMBL2056740 0.90 HCRTR1 (0.48) FPR2HCRTR1HCRTR2
SCHEMBL2057193 0.89 HCRTR1 (0.49) FPR2HCRTR1HCRTR2
SCHEMBL2056861 0.87 HCRTR1 (0.44) FPR2HCRTR1HCRTR2NPC1RAB9A
SCHEMBL2056742 0.87 HCRTR1 (0.41) FPR2HCRTR1HCRTR2SMN1; SMN2KLKB1
SCHEMBL2056723 0.86 HCRTR1 (0.46) FPR2HCRTR1HCRTR2ALDH1A1KCNA5
SCHEMBL2056915 0.86 HCRTR1 (0.42) FPR2HCRTR1HCRTR2NPC1RAB9A
SCHEMBL2056833 0.83 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL2056818 0.80 HCRTR1 (0.47) HCRTR1HCRTR2NPC1RAB9AHPGD
SCHEMBL2635818 0.80 HCRTR1 (0.45) HCRTR1HCRTR2NPC1RAB9AHPGD
SCHEMBL2056724 0.80 HCRTR1 (0.43) HCRTR1HCRTR2NPC1RAB9AHPGD

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 FPR2 271/4885HCRTR1 2/4885HCRTR2 1/4885

“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.