SCHEMBL3056009

SCHEMBL3056009

COc1ccc(OCCCS(=O)(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
HPGD P15428 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
ALDH1A1 P00352 4/20 0.48
POLB P06746 3/20 0.48
LMNA P02545 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PKM P14618 2/20 0.48
NPC1 O15118 1/20 0.48
ALOX15 P16050 1/20 0.48
BRCA1 P38398 1/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GMNN O75496 1/20 0.48
THPO P40225 1/20 0.48
MTOR P42345 1/20 0.48

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
SCHEMBL5583947 0.98 MEN1 (0.51) MAPTHPGDMEN1KMT2AMTNR1A
SCHEMBL11474738 0.93 MEN1 (0.50) MAPTHPGDMEN1KMT2AMTNR1A
SCHEMBL4872642 0.90 ALDH1A1 (0.54) MAPTALDH1A1POLBLMNARAB9A
SCHEMBL5583900 0.88 ALDH1A1 (0.53) MAPTALDH1A1POLBLMNARAB9A
SCHEMBL12781078 0.85 CA12 (0.56) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL10576032 0.85 L3MBTL1 (0.53) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL20913146 0.84 RAB9A (0.57) MAPTALDH1A1POLBLMNARAB9A
SCHEMBL9913967 0.83 ALDH1A1 (0.47) MAPTHPGDMEN1KMT2AMTNR1A
SCHEMBL15480485 0.83 LTA4H (0.52) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL5583901 0.82 RAB9A (0.55) MAPTMEN1KMT2AALDH1A1POLB

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-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US disclosed
EP-2207773-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF Otsuka Pharmaceutical Co., Ltd. (JP) 2010-07-21 EP disclosed
WO-2009057811-A2 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 MAPT 4138/4885HPGD 263/4885MEN1 275/4885

“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.