SCHEMBL2255249

SCHEMBL2255249

COC(=O)CCC(=O)Nc1cc(I)ccc1C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
KDM4E B2RXH2 5/20 0.58
HSD17B10 Q99714 3/20 0.58
HPGD P15428 3/20 0.58
POLB P06746 1/20 0.51
MAPT P10636 3/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
DNMT1 P26358 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.44
PTPRC P08575 2/20 0.44
PTPN13 Q12923 2/20 0.44
CTSL P07711 1/20 0.44
MEN1 O00255 1/20 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
SCHEMBL1184638 0.90 KDM4E (0.53) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL6012277 0.89 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL2260906 0.89 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL12217649 0.84 HSD17B10 (0.63) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL29783185 0.84 HSD17B10 (0.63) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL11775995 0.83 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL31058534 0.83 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL29895856 0.83 HPGD (0.58) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL31058565 0.83 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL30587089 0.83 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10HPGDPOLB

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373657-B1 5,7-DIHYDRO-6H-PYRIMIDO[5,4-D][1]BENZAZEPIN-6-THIONES AS PLK INHIBITORS MILLENNIUM PHARM INC (US) 2016-09-14 EP disclosed
EP-2373657-B1 5,7-DIHYDRO-6H-PYRIMIDO[5,4-D][1]BENZAZEPIN-6-THIONES AS PLK INHIBITORS MILLENNIUM PHARM INC (US) 2016-09-14 EP disclosed
US-20150175542-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 US disclosed
US-20150175542-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 US disclosed
US-20150175542-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 US disclosed
US-20140194410-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-20140194410-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-20140194410-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-8507667-B2 Thiolactams and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8507667-B2 Thiolactams and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20110257157-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
EP-2373657-A1 5, 7-DIHYDRO- 6H-PYRIMIDO Ý 5, 4-D¨Ý 1¨BENZAZEPIN-6-THIONES AS PLK INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-10-12 EP disclosed
US-7998952-B2 Thiolactams and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-16 US disclosed
US-7998952-B2 Thiolactams and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-16 US disclosed
US-7998952-B2 Thiolactams and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-16 US disclosed
US-20100179126-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-20100179126-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-20100179126-A1 THIOLACTAMS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
WO-2010065134-A1 5, 7-DIHYDRO- 6H-PYRIMIDO [ 5, 4-D] [ 1 ] BENZAZEPIN-6-THIONES AS PLK INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-10 WO disclosed
WO-2010065134-A1 5, 7-DIHYDRO- 6H-PYRIMIDO [ 5, 4-D] [ 1 ] BENZAZEPIN-6-THIONES AS PLK INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-10 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 (4 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-20100179126-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 ALDH1A1 433/4885KDM4E 1626/4885HSD17B10 1959/4885
US-20110257157-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 ALDH1A1 433/4885KDM4E 1626/4885HSD17B10 1959/4885
US-20150175542-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 ALDH1A1 433/4885KDM4E 1626/4885HSD17B10 1959/4885
US-20140194410-A1 THIOLACTAMS AND USES THEREOF PLK3, PLK4, PLK2 ALDH1A1 433/4885KDM4E 1626/4885HSD17B10 1959/4885

“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.