SCHEMBL2398210

SCHEMBL2398210

CC#CCN(CC#Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.52
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
CNR2 P34972 10/20 0.46
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP13 P45452 1/20 0.44
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.43
CNR1 P21554 1/20 0.42
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
C5AR1 P21730 1/20 0.41

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
SCHEMBL2398269 0.87 GLA (0.67) GLAUSP2GAACNR2CA12
SCHEMBL29199488 0.82 GLA (0.45) GLACNR2MMP2MMP3MMP13
SCHEMBL29172462 0.82 GLA (0.45) GLACNR2MMP2MMP3MMP13
SCHEMBL14798321 0.78 GLA (0.55) GLAUSP2GAACNR2TAS2R14
SCHEMBL29199474 0.75 GLA (0.48) GLACNR2MMP2MMP3MMP13
SCHEMBL29172469 0.74 GLA (0.48) GLAUSP2GAACNR2MMP2
SCHEMBL31296435 0.73 USP2 (0.56) GLAUSP2GAAMMP2MMP13
SCHEMBL28858053 0.73 C5AR1 (0.44) GLAGAACNR2MMP2MMP3
SCHEMBL21113603 0.71 CA12 (0.54) GLACNR2CA12CA9HTT
SCHEMBL15147424 0.71 GLA (0.61) GLAUSP2GAACNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013171-B2 Axially asymmetric ester compound and production method thereof NATIONAL UNIVERSITY CORPORATION TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY (JP) 2011-09-06 US disclosed
US-8013171-B2 Axially asymmetric ester compound and production method thereof NATIONAL UNIVERSITY CORPORATION TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY (JP) 2011-09-06 US disclosed
US-20090299076-A1 Axially asymmetric ester compound and production method thereof NATIONAL UNIVERSITY CORPORATION TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY (JP) 2009-12-03 US disclosed
US-20090299076-A1 Axially asymmetric ester compound and production method thereof NATIONAL UNIVERSITY CORPORATION TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY (JP) 2009-12-03 US 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-20090299076-A1 Axially asymmetric ester compound and production method thereof SQLE, COASY, TBC1D5 GLA 1415/4885USP2 4779/4885GAA 1685/4885

“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.