SCHEMBL1801192

SCHEMBL1801192

Cc1cc(CCC(=O)c2cc(-c3ccccc3)c(C(F)(F)F)s2)cc(C)c1O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.54
S1PR1 P21453 9/20 0.43
S1PR5 Q9H228 7/20 0.43
S1PR4 O95977 6/20 0.43
S1PR3 Q99500 4/20 0.43
DGAT1 O75907 1/20 0.40
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
FFAR4 Q5NUL3 2/20 0.37
FFAR1 O14842 1/20 0.37
ALDH1A1 P00352 1/20 0.36
FAAH O00519 1/20 0.36
C1S P09871 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
SCHEMBL1805116 0.86 S1PR1 (0.51) PLK1S1PR1S1PR5S1PR4S1PR3
SCHEMBL1801853 0.85 S1PR1 (0.43) S1PR1S1PR3GAAL3MBTL1PTGS1
SCHEMBL1798134 0.82 S1PR1 (0.50) PLK1S1PR1S1PR5S1PR4S1PR3
SCHEMBL1798137 0.82 S1PR1 (0.50) PLK1S1PR1S1PR5S1PR4S1PR3
SCHEMBL1801565 0.82 S1PR1 (0.39) S1PR1S1PR3GAAL3MBTL1PTGS1
SCHEMBL1802075 0.81 S1PR1 (0.38) S1PR1GAAPTGS1PTGS2
SCHEMBL1801099 0.76 PLK1 (0.54) PLK1PTGS1PTGS2
SCHEMBL1799551 0.74 PLK1 (0.72) PLK1S1PR1S1PR5S1PR4S1PR3
SCHEMBL404394 0.73 PLK1 (0.71) PLK1S1PR1S1PR5S1PR4S1PR3
SCHEMBL1800204 0.73 S1PR1 (0.39) S1PR1S1PR3L3MBTL1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951794-B2 Thiophene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-31 US disclosed
US-7951794-B2 Thiophene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-31 US disclosed
US-7951794-B2 Thiophene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-31 US disclosed
US-20100075946-A1 NOVEL THIOPHENE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-25 US disclosed
US-20100075946-A1 NOVEL THIOPHENE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-25 US disclosed
US-20100075946-A1 NOVEL THIOPHENE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-03-25 US disclosed
EP-1896446-A1 NOVEL THIOPHENE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-03-12 EP disclosed
WO-2006137019-A1 NOVEL THIOPHENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-12-28 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-20100075946-A1 NOVEL THIOPHENE DERIVATIVES TPMT, TSLP, NFATC1 PLK1 809/4885S1PR1 1258/4885S1PR5 1051/4885

“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.