SCHEMBL1377862

SCHEMBL1377862

COc1cc(-c2cc(CNc3ccc(N4CCOCC4)cc3)cn2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
ALDH1A1 P00352 8/20 0.53
GAA P10253 6/20 0.53
MAPK1 P28482 5/20 0.53
L3MBTL1 Q9Y468 3/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
TDP1 Q9NUW8 4/20 0.48
KMT2A Q03164 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 6/20 0.46
KDM4E B2RXH2 3/20 0.46
USP2 O75604 1/20 0.44
TGFBR1 P36897 1/20 0.44
ACVR1 Q04771 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX12 P18054 2/20 0.43

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
SCHEMBL3372538 0.93 RAB9A (0.55) MAPTALDH1A1GAAMAPK1L3MBTL1
SCHEMBL3368428 0.85 MAPT (0.49) MAPTALDH1A1GAAMAPK1L3MBTL1
SCHEMBL1380044 0.83 ACVR1 (0.40) MAPTALDH1A1GAAMAPK1NPC1
SCHEMBL1376749 0.80 MAPT (0.37) MAPTALDH1A1GAAMAPK1L3MBTL1
SCHEMBL1379774 0.79 RAB9A (0.63) MAPTALDH1A1GAAMAPK1L3MBTL1
SCHEMBL5696184 0.76 KMT2A (0.52) MAPTALDH1A1GAAMAPK1L3MBTL1
SCHEMBL3371527 0.74 HTR6 (0.42) KMT2AMEN1TGFBR1ACVR1
SCHEMBL3367690 0.71 CA1 (0.43) MAPTALDH1A1GAAL3MBTL1TDP1
SCHEMBL10090715 0.70 MAPT (1.00) MAPTALDH1A1GAAMAPK1L3MBTL1
SCHEMBL3368043 0.69 TUBB4A (0.44) MAPTALDH1A1GAAL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4716996-B2 2011-07-06 JP claimed
EP-1628957-B1 SULFOPYRROLES TAKEDA PHARMACEUTICAL (JP) 2010-09-29 EP claimed
US-7612064-B2 Sulfopyrroles TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-03 US claimed
US-20070060570-A1 Sulfopyrroles TALEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-15 US claimed
EP-1628957-A1 SULFOPYRROLES Takeda Pharmaceutical Company Limited (JP) 2006-03-01 EP claimed
WO-2004103968-A1 SULFOPYRROLES APONETICS AG (CH) 2004-12-02 WO claimed

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-20070060570-A1 Sulfopyrroles TYK2, ARSA, SULT2A1 MAPT 4766/4885ALDH1A1 1078/4885GAA 3347/4885

“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.