SCHEMBL1801099

SCHEMBL1801099

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.54
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
KCNH2 Q12809 1/20 0.44
TTR P02766 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
ALOX5 P09917 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
TNFRSF1A P19438 1/20 0.39

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
SCHEMBL1796532 0.80 PLK1 (0.46) PLK1PTGS1TNFRSF1A
SCHEMBL1801192 0.76 PLK1 (0.54) PLK1PTGS1PTGS2
SCHEMBL1799551 0.74 PLK1 (0.72) PLK1CYP2C9
SCHEMBL404394 0.73 PLK1 (0.71) PLK1CYP2C9
Hydrochloric Acid SCHEMBL8186534 0.72 PLK1 (0.69) PLK1CYP2C9
SCHEMBL218131 0.72 MAOA (0.52) CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL218132 0.72 MAOA (0.52) CYP1A2CYP3A4CYP2D6CYP2C9CYP2B6
SCHEMBL1963231 0.71 PLK1 (0.68) PLK1CYP1A2CYP3A4CYP2C9
SCHEMBL3054006 0.71 PLK1 (0.68) PLK1CYP2C9
SCHEMBL403196 0.71 PLK1 (0.71) PLK1PTGS1PTGS2

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-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
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 809/4885PPARD 387/4885PPARA 891/4885

“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.