SCHEMBL1801707

SCHEMBL1801707

CC(=O)c1cc(-c2ccccc2)c(C)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.43
PLAU P00749 2/20 0.43
C1S P09871 1/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPK14 Q16539 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.41
BACE1 P56817 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DAO P14920 1/20 0.40
KMT2A Q03164 1/20 0.40
USP47 Q96K76 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
SCHEMBL1797326 0.87 KDM4E (0.55) PLK1PLAUC1SMAPTKDM4E
SCHEMBL6454412 0.84 MAPK1 (0.52) PLK1PLAUC1SPLK4AURKA
SCHEMBL6456041 0.81 SMN1; SMN2 (0.63) PLK1PLAUC1SMAPTKDM4E
SCHEMBL6883034 0.81 PLK1 (0.65) PLK1MAPTKDM4ERXFP1MAPK14
SCHEMBL6018784 0.79 ALDH1A1 (0.52) MAPTKDM4ELMNAMAPK14SMN1; SMN2
SCHEMBL1801548 0.78 PLAU (0.46) PLK1PLAUC1SMAPTKDM4E
SCHEMBL6018804 0.78 PLK1 (0.38) PLK1PLAUC1SMAPTKDM4E
SCHEMBL1799551 0.77 PLK1 (0.72) PLK1C1SMAPTMAPK14BACE1
SCHEMBL23246441 0.77 PLA2G10 (0.41) PLK1PLAUC1SMAPTKDM4E
SCHEMBL5718225 0.77 MAPT (0.38) PLK1PLAUC1SMAPTKDM4E

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 809/4885PLAU 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.