SCHEMBL3365927

SCHEMBL3365927

C=CCC(CCCC)S(N)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 0.36
CA1 P00915 13/20 0.36
CA9 Q16790 8/20 0.35
CA12 O43570 4/20 0.34
CA7 P43166 4/20 0.34
CA14 Q9ULX7 4/20 0.34
CA3 P07451 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 2/20 0.34
CA5A P35218 2/20 0.34
CA5B Q9Y2D0 2/20 0.34
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL15825362 0.84 TSHR (0.36) CA2CA1TSHRALDH1A1TP53
SCHEMBL11652838 0.82 TSHR (0.34) TSHRALDH1A1TP53SMN1; SMN2
SCHEMBL88231 0.81 TP53 (0.37) CA2TSHRALDH1A1TP53SMN1; SMN2
SCHEMBL368530 0.81 TSHR (0.33) TSHRALDH1A1SMN1; SMN2
SCHEMBL8458904 0.81 MMP1 (0.35) CA2CA1TSHRALDH1A1SMN1; SMN2
SCHEMBL17542303 0.79 CA2 (0.35) CA2CA1CA9
SCHEMBL17542306 0.79 CA2 (0.35) CA2CA1CA9
SCHEMBL17542461 0.79 CA2 (0.35) CA2CA1CA9
SCHEMBL7125310 0.79 MMP1 (0.34) TSHRALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL1646990 0.79 TP53 (0.36) CA2TSHRALDH1A1TP53SMN1; SMN2

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
US-8518979-B2 Alpha-halo- and alpha-alkyl-cyclopropylcarboxy compounds and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2013-08-27 US claimed
US-20100152254-A1 ALPHA-HALO- AND ALPHA-ALKYL-CYCLOPROPYLCARBOXY COMPOUNDS AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2010-06-17 US claimed
EP-2114864-A1 ALPHA-HALO- AND ALPHA-ALKYL-CYCLOPROPYLCARBOXY COMPOUNDS AND USES THEREOF Yissum Research Development Company of the Hebrew University of Jerusalem Ltd (IL) 2009-11-11 EP claimed
EP-1343807-B1 DIARYL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITS C VIRUS SCHERING CORP (US) 2009-04-29 EP claimed
EP-1268525-B1 MACROCYCLIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS COMPRISING N-CYCLIC P2 MOIETIES SCHERING CORP (US) 2008-12-31 EP claimed
WO-2008102348-A1 ALPHA-HALO- AND ALPHA-ALKYL-CYCLOPROPYLCARBOXY COMPOUNDS AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2008-08-28 WO claimed
US-8518979-B2 Alpha-halo- and alpha-alkyl-cyclopropylcarboxy compounds and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2013-08-27 US disclosed
US-20100152254-A1 ALPHA-HALO- AND ALPHA-ALKYL-CYCLOPROPYLCARBOXY COMPOUNDS AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2010-06-17 US disclosed
EP-1725700-B1 METHOD FOR REMOVING A COATING OERLIKON TRADING AG (CH) 2009-12-30 EP disclosed
EP-2114864-A1 ALPHA-HALO- AND ALPHA-ALKYL-CYCLOPROPYLCARBOXY COMPOUNDS AND USES THEREOF Yissum Research Development Company of the Hebrew University of Jerusalem Ltd (IL) 2009-11-11 EP disclosed
WO-2008102348-A1 ALPHA-HALO- AND ALPHA-ALKYL-CYCLOPROPYLCARBOXY COMPOUNDS AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2008-08-28 WO disclosed
EP-1725700-A1 METHOD FOR REMOVING A COATING AND SINGLE-CHAMBER DEVICE FOR CARRYING OUT SAID METHOD OC Oerlikon Balzers AG (LI) 2006-11-29 EP disclosed
WO-2005073433-A1 METHOD FOR REMOVING A COATING AND SINGLE-CHAMBER DEVICE FOR CARRYING OUT SAID METHOD UNAXIS BALZERS AG (LI) 2005-08-11 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 (1 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-20100152254-A1 ALPHA-HALO- AND ALPHA-ALKYL-CYCLOPROPYLCARBOXY COMPOUNDS AND USES THEREOF INA, GBA1, SCN1A CA2 514/4885CA1 131/4885CA9 600/4885

“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.