SCHEMBL6867994

SCHEMBL6867994

CS(=O)(=O)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.71
PKM P14618 1/20 0.64
TSHR P16473 1/20 0.64
MAPT P10636 3/20 0.56
USP2 O75604 2/20 0.56
KDM4E B2RXH2 2/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
JAK2 O60674 3/20 0.52
JAK3 P52333 3/20 0.52
PTK2 Q05397 3/20 0.52
SLC6A9 P48067 2/20 0.52
SLC6A5 Q9Y345 1/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52
POLB P06746 3/20 0.51

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
SCHEMBL18405955 0.90 AKR1C3 (0.61) AKR1C3PKMTSHRMAPTUSP2
SCHEMBL12826096 0.84 LMNA (0.59) AKR1C3PKMTSHRMAPTKMT2A
SCHEMBL1970481 0.82 LMNA (0.58) AKR1C3MAPTKDM4EALDH1A1MAPK1
SCHEMBL5722180 0.81 ALDH1A1 (0.66) AKR1C3PKMTSHRMAPTUSP2
SCHEMBL28170767 0.81 AKR1C3 (0.58) AKR1C3MAPTKDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL27788123 0.81 PKM (0.64) AKR1C3PKMTSHRMAPTUSP2
SCHEMBL540062 0.81 PKM (0.64) AKR1C3PKMTSHRMAPTUSP2
SCHEMBL10589786 0.81 PKM (0.64) AKR1C3PKMTSHRMAPTUSP2
SCHEMBL28536241 0.81 AKR1C3 (0.54) AKR1C3MAPTKDM4EKMT2AMEN1
SCHEMBL22771244 0.81 MAPT (0.71) AKR1C3MAPTKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute CE PHARM CO., LTD. (CN) 2020-09-01 US disclosed
US-20190127337-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE CE PHARM CO., LTD. (CN) 2019-05-02 US disclosed
WO-2017177979-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE 中国科学院上海有机化学研究所 2017-10-19 WO disclosed
EP-2258356-B1 CHEMICAL COMPOUNDS HAVING ANTIVIRAL ACTIVITY AGAINST DENGUE VIRUS AND OTHER FLAVIVIRUSES CT INGENIERIA GENETICA BIOTECNOLOGIA (CU) 2017-09-27 EP disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
EP-1149094-B1 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2004-04-21 EP disclosed
US-6376491-B1 BENZOFURAN DERIVATIVES FOR TREATMENT OR PREVENTION OF MYCOSIS IN MAMMALS BASILEA PHARMACEUTICA AG (CH) 2002-04-23 US disclosed
EP-1149094-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS Basilea Pharmaceutica AG (CH) 2001-10-31 EP disclosed
WO-2000037464-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2000-06-29 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 (3 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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 AKR1C3 416/4885PKM 2106/4885TSHR 1691/4885
US-20190127337-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE AOC1, AOC2, AOC3 AKR1C3 253/4885PKM 2880/4885TSHR 190/4885
US-10759765-B2 Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute AOC1, AOC2, AOC3 AKR1C3 253/4885PKM 2880/4885TSHR 190/4885

“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.