SCHEMBL1798975

SCHEMBL1798975

CCCc1sc(C(C)=O)cc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.40
RXFP1 Q9HBX9 2/20 0.40
PLK1 P53350 1/20 0.39
MAPK14 Q16539 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
PLAU P00749 1/20 0.36
C1S P09871 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSP90AB1 P08238 1/20 0.36
BACE1 P56817 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
SCHEMBL1801548 0.88 PLAU (0.46) RXFP1PLK1MAPK14MAPTKDM4E
SCHEMBL12441421 0.87 ALOX5 (0.40) ALOX5RXFP1PLK1MAPTPLAU
SCHEMBL10088560 0.84 OPRD1 (0.47) ALOX5RXFP1MAPTKDM4ELMNA
SCHEMBL1797134 0.80 CLK1 (0.42) ALOX5RXFP1HPGDSMN1; SMN2
SCHEMBL1797130 0.79 RXFP1 (0.47) ALOX5RXFP1PLK1MAPTKDM4E
SCHEMBL1802291 0.76 PLAU (0.47) RXFP1PLK1KDM4ELMNAPLAU
SCHEMBL10088521 0.76 CYP2A6 (0.40) ALOX5BACE1
SCHEMBL1802075 0.76 S1PR1 (0.38) ALOX5RXFP1MAPTHPGD
SCHEMBL1801707 0.76 PLK1 (0.43) RXFP1PLK1MAPK14MAPTKDM4E
SCHEMBL1801983 0.74 MAPK14 (0.42) MAPK14MAPTKDM4EPKMPLAU

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 ALOX5 1478/4885RXFP1 4565/4885PLK1 809/4885

“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.