SCHEMBL2800253

SCHEMBL2800253

CSc1ccc(C=O)c(SC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MCL1 Q07820 1/20 0.36
TDP1 Q9NUW8 2/20 0.33
TYMS P04818 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP1A1 P04798 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP1B1 Q16678 2/20 0.33
AKR1C3 P42330 3/20 0.33
AKR1C2 P52895 3/20 0.33
TYR P14679 2/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL22867745 0.81 ALDH1A1 (0.44) ALDH1A1TSHRKDM4EGAAMAPT
SCHEMBL3376315 0.79 ALDH1A1 (0.48) ALDH1A1TSHRKDM4EMAPTHPGD
SCHEMBL3143864 0.79 ALDH1A1 (0.48) ALDH1A1TSHRKDM4EGAAMAPT
SCHEMBL362934 0.78 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTTDP1MEN1
SCHEMBL13437720 0.78 ERN1 (0.47) ALDH1A1LMNA
SCHEMBL23754494 0.78 ALDH1A1 (0.47) ALDH1A1TSHRKDM4EGAAMAPT
SCHEMBL4866236 0.78 TDP1 (0.55) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL8322156 0.78 TYR (0.52) ALDH1A1MCL1TYRTRIM24TRIM33
SCHEMBL5776519 0.78 ALDH1A1 (0.47) ALDH1A1TSHRKDM4EGAAMAPT
SCHEMBL3148643 0.78 TDP1 (0.55) ALDH1A1TSHRKDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3653613-B1 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF BEBETTER MED INC (CN) 2022-11-16 EP disclosed
US-11306102-B2 1,3-di-substituted ketene compound and application thereof BEBETTER MED INC. (CN) 2022-04-19 US disclosed
US-20210122761-A1 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF BEBETTER MED INC. (CN) 2021-04-29 US disclosed
EP-3653613-A1 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF Guangzhou Bebetter Medicine Technology Co., Ltd. (CN) 2020-05-20 EP disclosed
US-20100168112-A1 2-Substituted and 4-substituted aryl nitrone compounds RENOVIS, INC. 2010-07-01 US disclosed
US-20070275932-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders RENOVIS, INC. 2007-11-29 US disclosed
EP-1753714-A4 2-SUBSTITUTED AND 4-SUBSTITUTED ARYL NITRONE COMPOUDS RENOVIS INC (US) 2007-10-17 EP disclosed
EP-1753714-A2 2-SUBSTITUTED AND 4-SUBSTITUTED ARYL NITRONE COMPOUDS Renovis, Inc. (US) 2007-02-21 EP disclosed
EP-1660011-A2 ARYL, HETEROAROMATIC AND BICYCLIC ARYL NITRONE COMPOUNDS, PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS Renovis, Inc. (US) 2006-05-31 EP disclosed
WO-2005079270-A2 2-SUBSTITUTED AND 4-SUBSTITUTED ARYL NITRONE COMPOUDS RENOVIS, INC. (US) 2005-09-01 WO disclosed
US-20050182060-A1 2-Substituted and 4-substituted aryl nitrone compounds RENOVIS, INC. 2005-08-18 US disclosed
US-20050059638-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders RENOVIS, INC. 2005-03-17 US disclosed
WO-2005016272-A2 ARYL, HETEROAROMATIC AND BICYCLIC ARYL NITRONE COMPOUNDS, PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS RENOVIS, INC. (US) 2005-02-24 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 (6 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-20070275932-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders AHR, NAT1, ARNT ALDH1A1 487/4885TSHR 1903/4885KDM4E 3244/4885
US-20210122761-A1 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF PPARA, FABP1, PPARG ALDH1A1 1018/4885TSHR 2220/4885KDM4E 1994/4885
US-20050059638-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders AHR, NAT1, ARNT ALDH1A1 487/4885TSHR 1903/4885KDM4E 3244/4885
US-20100168112-A1 2-Substituted and 4-substituted aryl nitrone compounds CXCR2, CCL5, CCL2 ALDH1A1 226/4885TSHR 3997/4885KDM4E 3353/4885
US-20050182060-A1 2-Substituted and 4-substituted aryl nitrone compounds CXCR2, CCL5, CCL2 ALDH1A1 226/4885TSHR 3997/4885KDM4E 3353/4885
US-11306102-B2 1,3-di-substituted ketene compound and application thereof PPARA, FABP1, PPARG ALDH1A1 1018/4885TSHR 2220/4885KDM4E 1994/4885

“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.