SCHEMBL933108

SCHEMBL933108

CC1(C)OB(c2ccc3nc(Cl)ccc3c2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.44
LIPG Q9Y5X9 13/20 0.44
EGFR P00533 2/20 0.42
SNCA P37840 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 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
SCHEMBL20622695 0.89 LPL (0.45) LPLLIPGEGFRSNCAIRAK4
SCHEMBL19654842 0.84 BACE1 (0.49) LPLLIPGSNCAIRAK4
SCHEMBL30015879 0.84 BACE1 (0.49) LPLLIPGSNCAIRAK4
SCHEMBL12241754 0.83 IRAK4 (0.49) LPLLIPGEGFRSNCAIRAK4
SCHEMBL30453153 0.83 IRAK4 (0.49) LPLLIPGEGFRSNCAIRAK4
SCHEMBL20666276 0.81 LPL (0.44) LPLLIPGEGFRSNCAIRAK4
SCHEMBL30016092 0.81 LPL (0.44) LPLLIPGEGFRSNCAIRAK4
SCHEMBL20602523 0.80 LPL (0.43) LPLLIPGEGFRSNCAIRAK4
SCHEMBL29644319 0.79 LPL (0.62) LPLLIPGSNCAIRAK4CA1
SCHEMBL1293460 0.79 LPL (0.62) LPLLIPGSNCAIRAK4CA1

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
WO-2012123298-A1 ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 WO disclosed
US-20120230951-A1 ANTIVIRAL COMPOUNDS ALAM MUZAFFAR (US) 2012-09-13 US disclosed
US-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US disclosed
US-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US disclosed
US-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US disclosed
WO-2011004276-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-01-13 WO disclosed
WO-2011004276-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-01-13 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-20110112100-A1 Hepatitis C Virus Inhibitors HAVCR2, SLC10A1, HCCS LPL 2277/4885LIPG 1891/4885EGFR 1665/4885
US-20120230951-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS LPL 954/4885LIPG 1168/4885EGFR 4020/4885

“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.