SCHEMBL21798

SCHEMBL21798

CCS(=O)(=O)Oc1c[c]ccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP14 P50281 2/20 0.36
MMP7 P09237 1/20 0.36
CA2 P00918 4/20 0.35
CA12 O43570 1/20 0.35
ALPI P09923 2/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
ENPP2 Q13822 1/20 0.33
ALPL P05186 1/20 0.33
YAP1 P46937 1/20 0.32
TEAD4 Q15561 1/20 0.32
TEAD2 Q15562 1/20 0.32
CA1 P00915 2/20 0.31
CA9 Q16790 2/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL6671842 0.85 ALPL (0.39) KMT2AMMP2MMP9MMP14MMP7
SCHEMBL6668635 0.82 ALPL (0.41) KMT2AMMP9ALPIALPL
SCHEMBL6670364 0.82 ALPL (0.41) KMT2AMMP9ALPIALPL
SCHEMBL2287643 0.81 ALDH1A1 (0.35) MMP2MMP9MMP14MMP7CA2
SCHEMBL2767385 0.77 CA2 (0.57) CA2CA1CA9
SCHEMBL1404374 0.77 CISD1 (0.35) KMT2ACA2CA1CA9
SCHEMBL2885830 0.76 RAB9A (0.42) KMT2ACA2CA12LMNAHTT
SCHEMBL23449 0.76 MMP2 (0.44) KMT2AMMP2MMP9MMP14MMP7
SCHEMBL775874 0.76 KMT2A (0.63) KMT2AMMP2MMP9MMP14MMP7
SCHEMBL4417910 0.74 CA1 (0.35) KMT2ACA2CA1CA9

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3241829-B1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2020-12-23 EP claimed
US-9006266-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US claimed
EP-3241829-B1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2020-12-23 EP disclosed
EP-2609094-B1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER IP GMBH (DE) 2018-05-30 EP disclosed
US-9930890-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-04-03 US disclosed
US-20180007903-A1 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-01-11 US disclosed
EP-3241829-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES Bayer Intellectual Property GmbH (DE) 2017-11-08 EP disclosed
US-9770027-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2017-09-26 US disclosed
EP-3109248-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES Bayer Intellectual Property GmbH (DE) 2016-12-28 EP disclosed
US-20160309719-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER INTELLECTUAL PROPERTY GMBH 2016-10-27 US disclosed
US-9434723-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-09-06 US disclosed
US-9150565-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2015-10-06 US disclosed
US-20150175598-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2015-06-25 US disclosed
US-9006266-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-20140206646-A1 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2014-07-24 US disclosed
US-8759527-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2014-06-24 US disclosed
US-20130296272-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-07 US disclosed
EP-2609094-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES Bayer Intellectual Property GmbH (DE) 2013-07-03 EP disclosed
US-20120122929-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2012-05-17 US disclosed
WO-2012025557-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2012-03-01 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-20150175598-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES CYP1A1, PRXL2A, CYP1A2 KMT2A 1254/4885MMP2 2789/4885MMP9 3804/4885
US-20180007903-A1 Heteroarylpiperidine and -piperazine derivatives as fungicides CYP1A1, PRXL2A, CYP1A2 KMT2A 1254/4885MMP2 2789/4885MMP9 3804/4885
US-20120122929-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES CYP1A1, PRXL2A, CYP1A2 KMT2A 1254/4885MMP2 2789/4885MMP9 3804/4885
US-20160309719-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES CYP1A1, PRXL2A, CYP1A2 KMT2A 1254/4885MMP2 2789/4885MMP9 3804/4885
US-20140206646-A1 Heteroarylpiperidine and -piperazine derivatives as fungicides CYP1A1, PRXL2A, CYP1A2 KMT2A 1254/4885MMP2 2789/4885MMP9 3804/4885
US-20130296272-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES CYP1A1, PRXL2A, CYP1A2 KMT2A 1254/4885MMP2 2789/4885MMP9 3804/4885

“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.