SCHEMBL4180700

SCHEMBL4180700

Cn1cc(C(=O)OC(=O)C(F)(F)F)c(=O)c2cc(CCCN)ccc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
KMT2A Q03164 4/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 3/20 0.37
GAA P10253 2/20 0.37
USP2 O75604 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HTT P42858 1/20 0.36
POLB P06746 1/20 0.35
TPSAB1 Q15661 1/20 0.35

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
SCHEMBL3982424 0.90 LMNA (0.48) KMT2ALMNAMEN1ALDH1A1HPGD
SCHEMBL4169392 0.90 LMNA (0.39) S1PR1KMT2ALMNAALDH1A1HPGD
SCHEMBL5428194 0.88 TPSAB1 (0.41) S1PR1KMT2ALMNAALDH1A1HPGD
SCHEMBL3288605 0.87 LMNA (0.35) KMT2ALMNAALDH1A1HPGDKDM4E
SCHEMBL4180495 0.87 LMNA (0.39) S1PR1KMT2ALMNAALDH1A1HPGD
SCHEMBL4171414 0.86 KMT2A (0.38) KMT2ALMNAMEN1ALDH1A1HPGD
SCHEMBL5437605 0.84 GSK3B (0.37) KMT2ALMNAMEN1ALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL4180697 0.84 RXRA (0.44) S1PR1RXRARXRBKMT2ALMNA
SCHEMBL3819899 0.82 LMNA (0.45) KMT2ALMNAMEN1ALDH1A1HPGD
SCHEMBL3291767 0.80 PDE4A (0.33) KMT2ALMNAALDH1A1HPGDKDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20070293472-A1 Novel 14 and 15 Membered Ring Compounds GLAXO GROUP LIMITED (GB) 2007-12-20 US disclosed
EP-1824871-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
EP-1628989-B1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LTD (GB) 2006-12-20 EP disclosed
WO-2006050940-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 WO disclosed
EP-1628989-A1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-03-01 EP disclosed
WO-2004101587-A1 NOVEL 14 AND 15 MEMBERRED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-11-25 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 (2 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-20070293472-A1 Novel 14 and 15 Membered Ring Compounds IL17A, CYP51A1, IL15 S1PR1 2010/4885RXRA 2825/4885RXRB 2804/4885
US-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 S1PR1 2323/4885RXRA 1871/4885RXRB 1861/4885

“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.