SCHEMBL1800633

SCHEMBL1800633

CCc1ccccc1-c1cc(C(=O)CCc2cc(C)c(O)c(C)c2)sc1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.38
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
FFAR1 O14842 2/20 0.35
S1PR3 Q99500 4/20 0.34
FFAR4 Q5NUL3 1/20 0.34
S1PR5 Q9H228 2/20 0.34
S1PR4 O95977 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
KMT2A Q03164 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1800204 0.92 S1PR1 (0.39) S1PR1PTGS1PTGS2FFAR1S1PR3
SCHEMBL1801565 0.87 S1PR1 (0.39) S1PR1PTGS1PTGS2S1PR3NPC1
SCHEMBL1800414 0.83 S1PR1 (0.39) S1PR1PTGS1PTGS2S1PR3MEN1
SCHEMBL1802075 0.80 S1PR1 (0.38) S1PR1PTGS1PTGS2NPC1MEN1
SCHEMBL1799024 0.78 USP2 (0.49) S1PR1PTGS1PTGS2S1PR3NPC1
SCHEMBL1801853 0.76 S1PR1 (0.43) S1PR1PTGS1PTGS2FFAR1S1PR3
SCHEMBL1799724 0.74 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL1799731 0.74 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL1799727 0.74 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL1796869 0.72 S1PR1 (0.45) 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 1258/4885PTGS1 497/4885PTGS2 441/4885

“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.