SCHEMBL6030460

SCHEMBL6030460

CCCCCCCCNC(=O)Nc1sc(Cc2ccccc2)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.54
ALDH1A1 P00352 4/20 0.54
HTT P42858 1/20 0.54
ALOX15 P16050 5/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK10 P53779 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GHSR Q92847 1/20 0.44
NAAA Q02083 1/20 0.44
PTPN1 P18031 1/20 0.44

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
SCHEMBL6029708 0.87 EPHX1 (0.47) EPHX1ALDH1A1HTTALOX15HPGD
SCHEMBL6030270 0.84 EPHX1 (0.50) EPHX1ALDH1A1HTTALOX15MEN1
SCHEMBL6030447 0.84 EPHX1 (0.50) EPHX1ALDH1A1HTTALOX15MEN1
SCHEMBL6317833 0.76 NPSR1 (0.55) ALDH1A1ALOX15HPGDKDM4EMAPT
SCHEMBL5555718 0.76 ALDH1A1 (0.62) ALDH1A1ALOX15HPGDKDM4EMAPT
SCHEMBL20887241 0.75 EPHX1 (0.50) EPHX1ALDH1A1HTTHPGDKDM4E
SCHEMBL5192913 0.74 NPSR1 (0.48) ALDH1A1ALOX15HPGDKDM4EMAPT
SCHEMBL5864648 0.73 ALDH1A1 (0.51) ALDH1A1ALOX15HPGDKDM4EMAPT
SCHEMBL8556765 0.72 L3MBTL1 (0.68) EPHX1ALDH1A1HTTHPGDKMT2A
Dimethylamine SCHEMBL9100861 0.72 EPHX1 (0.94) EPHX1ALDH1A1HTTKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064122-B2 Pancreatic lipase inhibitor compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2006-06-20 US disclosed
EP-1467978-A4 PANCREATIC LIPASE INHIBITOR COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2005-11-02 EP disclosed
EP-1467978-A1 PANCREATIC LIPASE INHIBITOR COMPOUNDS, THEIR SYNTHESIS AND USE OSI Pharmaceuticals, Inc. (US) 2004-10-20 EP disclosed
US-20030195199-A1 Pancreatic lipase inhibitor compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-10-16 US disclosed
WO-2003053944-A1 PANCREATIC LIPASE INHIBITOR COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2003-07-03 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-20030195199-A1 Pancreatic lipase inhibitor compounds, their synthesis and use PNLIP, LIPC, CEL EPHX1 938/4885ALDH1A1 1832/4885HTT 2554/4885

“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.