SCHEMBL15534952

SCHEMBL15534952

O=[C]C(O)(c1ccccc1)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
RGS12 O14924 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CHRM3 P20309 4/20 0.38
CHRM2 P08172 3/20 0.38
CHRM1 P11229 2/20 0.38
NR1H2 P55055 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.35
DAO P14920 1/20 0.34
HPGDS O60760 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL4798652 0.82 RGS12 (0.39) KIF11RGS12SMN1; SMN2CHRM3CHRM2
SCHEMBL439194 0.78 ALDH1A1 (0.41) ALDH1A1MEN1MAPTKMT2A
SCHEMBL2390466 0.75 RGS12 (0.43) KIF11RGS12SMN1; SMN2CHRM3CHRM2
SCHEMBL2390819 0.75 RGS12 (0.43) KIF11RGS12SMN1; SMN2CHRM3CHRM2
SCHEMBL11284831 0.73 CHRM3 (0.50) KIF11RGS12SMN1; SMN2CHRM3CHRM2
SCHEMBL5964331 0.73 CHRM3 (0.50) KIF11RGS12SMN1; SMN2CHRM3CHRM2
SCHEMBL73656 0.73 CHRM3 (0.50) KIF11RGS12SMN1; SMN2CHRM3CHRM2
SCHEMBL3906605 0.72 RGS12 (0.44) KIF11RGS12SMN1; SMN2CHRM3CHRM2
SCHEMBL74291 0.71 CHRM3 (0.49) KIF11RGS12SMN1; SMN2CHRM3CHRM2
SCHEMBL11284863 0.71 KIF11 (0.41) KIF11RGS12SMN1; SMN2CHRM3CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180153830-A1 SELECTIVE INHIBITORS OF UNDIFFERENTIATED CELLS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2018-06-07 US claimed
US-20170027890-A1 SELECTIVE INHIBITORS OF UNDIFFERENTIATED CELLS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2017-02-02 US claimed
US-20150148359-A1 SELECTIVE INHIBITORS OF UNDIFFERENTIATED CELLS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2015-05-28 US claimed
EP-2852387-A2 SELECTIVE INHIBITORS OF UNDIFFERENTIATED CELLS Yissum Research Development Company of the Hebrew University of Jerusalem Ltd. (IL) 2015-04-01 EP claimed
WO-2013175474-A2 SELECTIVE INHIBITORS OF UNDIFFERENTIATED CELLS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2013-11-28 WO claimed
US-20180153830-A1 SELECTIVE INHIBITORS OF UNDIFFERENTIATED CELLS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2018-06-07 US disclosed
US-20170027890-A1 SELECTIVE INHIBITORS OF UNDIFFERENTIATED CELLS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2017-02-02 US disclosed
US-9456998-B2 Selective inhibitors of undifferentiated cells YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2016-10-04 US disclosed
CN-104768549-A Selective inhibitors of undifferentiated cells YISSUM RES DEV CO 2015-07-08 CN disclosed
US-20150148359-A1 SELECTIVE INHIBITORS OF UNDIFFERENTIATED CELLS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2015-05-28 US disclosed
EP-2852387-A2 SELECTIVE INHIBITORS OF UNDIFFERENTIATED CELLS Yissum Research Development Company of the Hebrew University of Jerusalem Ltd. (IL) 2015-04-01 EP disclosed
WO-2013175474-A2 SELECTIVE INHIBITORS OF UNDIFFERENTIATED CELLS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2013-11-28 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-20180153830-A1 SELECTIVE INHIBITORS OF UNDIFFERENTIATED CELLS MCL1, MKI67, SCD KIF11 4323/4885RGS12 4633/4885SMN1; SMN2 1199/4885
US-20170027890-A1 SELECTIVE INHIBITORS OF UNDIFFERENTIATED CELLS MCL1, MKI67, SCD KIF11 4323/4885RGS12 4633/4885SMN1; SMN2 1199/4885
US-20150148359-A1 SELECTIVE INHIBITORS OF UNDIFFERENTIATED CELLS MCL1, MKI67, SCD KIF11 4323/4885RGS12 4633/4885SMN1; SMN2 1199/4885

“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.