SCHEMBL1796558

SCHEMBL1796558

CCc1sc(C(=O)CCc2cc(Cl)c(OCC(O)CNC)c(OC)c2)cc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
S1PR1 P21453 8/20 0.38
S1PR3 Q99500 6/20 0.38
LMNA P02545 3/20 0.37
ABCB1 P08183 6/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP3A4 P08684 2/20 0.36
KCNH2 Q12809 2/20 0.36
KCNK3 O14649 1/20 0.36
SLC22A1 O15245 1/20 0.36
ABCC9 O60706 1/20 0.36
KCNK2 O95069 1/20 0.36
ABCB11 O95342 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A2 P23975 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
SCHEMBL12615928 0.91 KCNH2 (0.41) MEN1KMT2AS1PR1S1PR3LMNA
SCHEMBL1797136 0.86 S1PR1 (0.51) S1PR1S1PR3
SCHEMBL1800372 0.81 ALOX5 (0.46) MEN1KMT2A
SCHEMBL1799051 0.80 S1PR1 (0.50) S1PR1S1PR3
SCHEMBL1802549 0.78 S1PR1 (0.53) S1PR1S1PR3LMNAABCB1CYP1A2
SCHEMBL1799072 0.77 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL1799074 0.77 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL1799070 0.77 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL1800716 0.77 S1PR1 (0.53) S1PR1S1PR3
SCHEMBL1800961 0.76 S1PR1 (0.52) S1PR1S1PR3KCNH2TSHR

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 MEN1 4107/4885KMT2A 3780/4885S1PR1 1258/4885

“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.