SCHEMBL1801565

SCHEMBL1801565

CCc1sc(C(=O)CCc2cc(C)c(O)c(C)c2)cc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.39
PLAU P00749 1/20 0.37
C1S P09871 1/20 0.37
S1PR3 Q99500 5/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
CDC7 O00311 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
ALOX5 P09917 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL1802075 0.92 S1PR1 (0.38) S1PR1PTGS1PTGS2MEN1KMT2A
SCHEMBL1800414 0.91 S1PR1 (0.39) S1PR1S1PR3PTGS1PTGS2MEN1
SCHEMBL1800204 0.88 S1PR1 (0.39) S1PR1S1PR3PTGS1PTGS2MEN1
SCHEMBL1800633 0.87 S1PR1 (0.38) S1PR1S1PR3PTGS1PTGS2MEN1
SCHEMBL1801853 0.87 S1PR1 (0.43) S1PR1S1PR3PTGS1PTGS2MEN1
SCHEMBL1796869 0.84 S1PR1 (0.45) S1PR1PLAUC1SS1PR3
SCHEMBL1801192 0.82 PLK1 (0.54) S1PR1C1SS1PR3PTGS1PTGS2
SCHEMBL1799072 0.82 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL1799070 0.82 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL1799074 0.82 S1PR1 (0.61) S1PR1S1PR3

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 S1PR1 1258/4885PLAU 4771/4885C1S 3899/4885

“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.