SCHEMBL810418

SCHEMBL810418

CC(C)(C)OC(=O)Nc1ccc(Sc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ADORA3 P0DMS8 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PKM P14618 1/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GFER P55789 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
NHERF1 O14745 1/20 0.39
GPR27 Q9NS67 3/20 0.39
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL810684 0.86 ALDH1A1 (0.47) MAPTMEN1KMT2AADORA3SLC6A3
SCHEMBL1455205 0.82 MAPT (0.46) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL13305748 0.78 MAP4K4 (0.53) MAPTNPSR1LMNAALDH1A1MAPK1
SCHEMBL1454758 0.76 PIM1 (0.47) MEN1KMT2AALDH1A1
SCHEMBL1455451 0.75 KDM4E (0.65) MAPTNPSR1MEN1KMT2APKM
SCHEMBL15912554 0.74 MAPT (0.51) MAPTNPSR1PKMLMNASMN1; SMN2
SCHEMBL1455518 0.74 NAMPT (0.46) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL811726 0.74 PIM1 (0.38)
SCHEMBL1454579 0.73 MAPT (0.58) MAPTNPSR1MEN1KMT2APKM
SCHEMBL29412675 0.72 ALDH1A1 (0.55) MAPTMEN1KMT2ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 WO disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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 (3 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885NPSR1 3949/4885MEN1 4571/4885
US-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885NPSR1 3949/4885MEN1 4571/4885
US-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885NPSR1 3949/4885MEN1 4571/4885

“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.