SCHEMBL4528820

SCHEMBL4528820

Cc1cccc2c1CC(=O)S2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ACHE P22303 1/20 0.38
PARP1 P09874 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 1/20 0.37
AADAT Q8N5Z0 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
NOTUM Q6P988 1/20 0.32
MAPT P10636 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
TTR P02766 1/20 0.31
BCHE P06276 1/20 0.31

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
SCHEMBL7976049 0.79 MEN1 (0.38) MEN1KMT2AACHEPARP1PARP10
SCHEMBL5761154 0.77 CRHBP (0.41) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL8890449 0.74 KMT2A (0.53) MEN1KMT2AACHEPARP1PARP10
SCHEMBL28176472 0.73 KMT2A (0.51) MEN1KMT2AACHEPARP1PARP10
SCHEMBL10904060 0.70
SCHEMBL14451090 0.67 HPGD (0.36) MEN1KMT2AACHEPARP1PARP10
SCHEMBL8528178 0.66 EPHX2 (0.39) MEN1KMT2AACHEPARP1PARP10
SCHEMBL12998131 0.66 MIF (0.42) MEN1KMT2AACHEPARP1PARP10
SCHEMBL1498003 0.66 ALDH1A1 (0.59) MEN1KMT2AACHEALDH1A1KDM4E
SCHEMBL9663954 0.66 ALDH1A1 (0.36) MEN1KMT2AACHEALDH1A1KDM4E

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
US-20210276952-A1 NOVEL COMPOUNDS UCL BUSINESS LTD (GB) 2021-09-09 US disclosed
US-20200392498-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING BIOREVERSIBLE AND NON-BIOREVERSIBLE GROUPS SOLSTICE BIOLOGICS LTD (IE) 2020-12-17 US disclosed
WO-2019243841-A1 NOVEL COMPOUNDS UCL BUSINESS LTD (GB) 2019-12-26 WO disclosed
US-20170114341-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING BIOREVERSIBLE AND NON-BIOREVERSIBLE GROUPS BRADSHAW CURT W (US) 2017-04-27 US disclosed
US-20170114341-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING BIOREVERSIBLE AND NON-BIOREVERSIBLE GROUPS BRADSHAW CURT W (US) 2017-04-27 US disclosed
US-20160257961-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING DISULFIDE GROUPS BRADSHAW CURT W (US) 2016-09-08 US disclosed
US-20160257961-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING DISULFIDE GROUPS BRADSHAW CURT W (US) 2016-09-08 US disclosed
WO-2015188197-A2 POLYNUCLEOTIDE CONSTRUCTS HAVING BIOREVERSIBLE AND NON-BIOREVERSIBLE GROUPS SOLSTICE BIOLOGICS, LTD. (IE) 2015-12-10 WO disclosed
WO-2015069932-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING DISULFIDE GROUPS SOLSTICE BIOLOGICS, LTD. (IE) 2015-05-14 WO disclosed
US-20090299074-A1 BENZO[b]THIOPHEN DERIVATIVES AND PROCESS FOR THEIR PRODUCTION TEIJIN PHARMA LIMITED (JP) 2009-12-03 US disclosed
US-20090299074-A1 BENZO[b]THIOPHEN DERIVATIVES AND PROCESS FOR THEIR PRODUCTION TEIJIN PHARMA LIMITED (JP) 2009-12-03 US disclosed
US-20090299074-A1 BENZO[b]THIOPHEN DERIVATIVES AND PROCESS FOR THEIR PRODUCTION TEIJIN PHARMA LIMITED (JP) 2009-12-03 US disclosed
EP-1947097-A1 BENZOÝb¨THIOPHEN DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF Teijin Pharma Limited (JP) 2008-07-23 EP disclosed
EP-1947097-A1 BENZOÝb¨THIOPHEN DERIVATIVE AND PROCESS FOR PRODUCTION THEREOF Teijin Pharma Limited (JP) 2008-07-23 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 (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-20200392498-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING BIOREVERSIBLE AND NON-BIOREVERSIBLE GROUPS HNRNPC, RNASE1, NSUN3 MEN1 2230/4885KMT2A 3810/4885ACHE 4827/4885
US-20170114341-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING BIOREVERSIBLE AND NON-BIOREVERSIBLE GROUPS HNRNPC, RNASE1, NSUN3 MEN1 2230/4885KMT2A 3810/4885ACHE 4827/4885
US-20090299074-A1 BENZO[b]THIOPHEN DERIVATIVES AND PROCESS FOR THEIR PRODUCTION CMA1, TPSB2, CTRB1 MEN1 3812/4885KMT2A 2803/4885ACHE 379/4885
US-20210276952-A1 NOVEL COMPOUNDS SERPINC1, SERPINA2, SERPINA3 MEN1 812/4885KMT2A 4754/4885ACHE 729/4885

“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.