SCHEMBL1278486

SCHEMBL1278486

COc1cccc(OC)c1C1SCC(=O)N1C(C)c1nc2ccccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR7 P34969 3/20 0.39
KLK7 P49862 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTPN1 P18031 1/20 0.38
METAP1 P53582 1/20 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
SCHEMBL1278502 0.82 TSHR (0.44) TSHRHCRTR1HCRTR2TP53MAPT
SCHEMBL1278642 0.81 HCRTR1 (0.43) HCRTR1HCRTR2MAPTMEN1MAPK1
SCHEMBL745876 0.77 HCRTR1 (0.56) HCRTR1HCRTR2MEN1KMT2ASMN1; SMN2
SCHEMBL2131228 0.75 TSHR (0.43) TSHRTP53MAPTMEN1CYP3A4
SCHEMBL1279078 0.74 ALDH1A1 (0.40) HCRTR1HCRTR2MAPTMEN1MAPK1
SCHEMBL1279067 0.69 HTR7 (0.40) HCRTR1HCRTR2MAPTMEN1CYP3A4
SCHEMBL4728480 0.69 DRD4 (0.55) TSHRTP53MAPTMEN1CYP3A4
SCHEMBL745369 0.67 HCRTR1 (0.63) HCRTR1HCRTR2MEN1KMT2A
SCHEMBL747905 0.66 HCRTR1 (0.41) HCRTR1HCRTR2MEN1MAPK1KMT2A
SCHEMBL744495 0.66 HCRTR1 (0.66) HCRTR1HCRTR2MEN1KMT2A

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
US-20120088759-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-04-12 US claimed
US-20120088759-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-04-12 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-20120088759-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY4R TSHR 32/4885HCRTR1 1/4885HCRTR2 2/4885

“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.