SCHEMBL8724688

SCHEMBL8724688

O/N=C(\S)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.52
CES1 P23141 2/20 0.46
CES2 O00748 1/20 0.46
AKR1B1 P15121 1/20 0.46
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.40
IDO1 P14902 1/20 0.40
MEN1 O00255 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
XDH P47989 1/20 0.39
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MGLL Q99685 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL8724691 1.00 CTBP2 (0.52) CTBP2CES1CES2AKR1B1TSHR
SCHEMBL3084456 0.75 CTBP2 (0.75) CTBP2CES1CES2AKR1B1CA1
SCHEMBL3084459 0.75 CTBP2 (0.75) CTBP2CES1CES2AKR1B1CA1
SCHEMBL3084457 0.75 CTBP2 (0.75) CTBP2CES1CES2AKR1B1CA1
SCHEMBL3966062 0.75 CTBP2 (0.56) CTBP2CES1CES2AKR1B1TSHR
SCHEMBL11090816 0.74 CES1 (0.55) CTBP2CES1CES2AKR1B1TSHR
SCHEMBL12263048 0.74 CES1 (0.55) CTBP2CES1CES2AKR1B1TSHR
SCHEMBL6077860 0.72 CES1 (0.52) CTBP2CES1CES2AKR1B1TSHR
SCHEMBL100774 0.71 HIF1A (0.57) CTBP2CES1CES2AKR1B1KMT2A
SCHEMBL3658960 0.71 CTBP2 (0.52) CTBP2CES1CES2AKR1B1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298761-B1 HIV INHIBITING PYRIMIDINES DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2020-03-25 EP disclosed
CN-104854236-B9 Novel UDP-glycosyltransferase derived from ginseng and use thereof 韩国科学技术院 2018-03-13 CN disclosed
EP-2900813-B1 NOVEL UDP-GLYCOSYLTRANSFERASE DERIVED FROM GINSENG AND USE THEREOF KOREA ADVANCED INST SCI & TECH (KR) 2018-02-21 EP disclosed
US-9670469-B2 UDP-glycosyltransferase derived from ginseng and use thereof INTELLIGENT SYNTHETIC BIOLOGY CENTER (KR) 2017-06-06 US disclosed
EP-2900812-B1 NOVEL UDP-GLYCOSYLTRANSFERASE DERIVED FROM GINSENG AND USE THEREOF KOREA ADVANCED INST SCI & TECH (KR) 2017-05-17 EP disclosed
US-20150252337-A1 NOVEL UDP-GLYCOSYLTRANSFERASE DERIVED FROM GINSENG AND USE THEREOF INTELLIGENT SYNTHETIC BIOLOGY CENTER (KR) 2015-09-10 US disclosed
US-20150240220-A1 NOVEL UDP-GLYCOSYLTRANSFERASE DERIVED FROM GINSENG AND USE THEREOF INTELLIGENT SYNTHETIC BIOLOGY CENTER (KR) 2015-08-27 US disclosed
CN-104854236-A Novel UDP-glycosyltransferase derived from ginseng and use thereof KOREA ADVANCED INST SCI & TECH 2015-08-19 CN disclosed
CN-104854235-A Novel udp-glycosyltransferase derived from ginseng and use thereof KOREA ADVANCED INST SCI & TECH 2015-08-19 CN disclosed
EP-2900813-A1 NOVEL UDP-GLYCOSYLTRANSFERASE DERIVED FROM GINSENG AND USE THEREOF Korea Advanced Institute Of Science And Technology (KR) 2015-08-05 EP disclosed
EP-2900812-A1 NOVEL UDP-GLYCOSYLTRANSFERASE DERIVED FROM GINSENG AND USE THEREOF Korea Advanced Institute Of Science And Technology (KR) 2015-08-05 EP disclosed
EP-0858511-A1 PLANTS WITH REDUCED CLUCOSINOLATE CONTENT PLANT GENETIC SYSTEMS N.V. (BE) 1998-08-19 EP disclosed
WO-1997016559-A1 PLANTS WITH REDUCED GLUCOSINOLATE CONTENT PLANT GENETIC SYSTEMS, N.V. (BE) 1997-05-09 WO disclosed
EP-0771878-A1 Plants with reduced glucosinolate content PLANT GENETIC SYSTEMS N.V. (BE) 1997-05-07 EP 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-20150252337-A1 NOVEL UDP-GLYCOSYLTRANSFERASE DERIVED FROM GINSENG AND USE THEREOF UGGT1, FNTA, UGDH CTBP2 2789/4885CES1 1494/4885CES2 3072/4885
US-20150240220-A1 NOVEL UDP-GLYCOSYLTRANSFERASE DERIVED FROM GINSENG AND USE THEREOF UGGT1, FNTA, UGDH CTBP2 2789/4885CES1 1494/4885CES2 3072/4885

“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.