SCHEMBL23628

SCHEMBL23628

COCCS(=O)(=O)Cc1[c]cccc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.34
MAPK1 P28482 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA2 P00918 3/20 0.31
CA1 P00915 2/20 0.31
CA9 Q16790 2/20 0.31
TSHR P16473 1/20 0.31
HPGD P15428 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CA12 O43570 1/20 0.30
CA4 P22748 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL1987184 0.79 PSIP1 (0.34) CA2CA1
SCHEMBL22799296 0.78 ALDH1A1 (0.43) MAPK1POLBSMN1; SMN2TSHRHPGD
SCHEMBL26025885 0.75 POLB (0.47) CYP2C19MAPK1POLBSMN1; SMN2HSD17B10
SCHEMBL239869 0.73 LMNA (0.33) POLBCA2CA1CA9ALDH1A1
SCHEMBL198567 0.73 TSHR (0.37) MAPK1CA2TSHRALDH1A1CA4
SCHEMBL15939122 0.73 CYP2C19 (0.43) CYP2C19MAPK1POLBSMN1; SMN2CA2
SCHEMBL28827366 0.72 CYP2C19 (0.37) CYP2C19MAPK1POLBSMN1; SMN2HSD17B10
SCHEMBL9769748 0.70 KCNH2 (0.36) CYP2C19MAPK1POLBCA2TSHR
SCHEMBL7516044 0.70 CA1 (0.35) SMN1; SMN2CA2CA1CA9TSHR
SCHEMBL8480017 0.70 CA2 (0.48) CA2CA1CA9CA12CA4

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 24 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
CN-105601627-B Heteroaryl piperidine and heteroaryl based piperazine derivative as fungicide 拜耳作物科学股份公司 2019-04-09 CN 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-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-20140228387-A1 DISUBSTITUTED 5-FLUORO-PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-14 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 (7 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 CYP2C19 100/4885MAPK1 1463/4885POLB 2472/4885
US-20180007903-A1 Heteroarylpiperidine and -piperazine derivatives as fungicides CYP1A1, PRXL2A, CYP1A2 CYP2C19 100/4885MAPK1 1463/4885POLB 2472/4885
US-20120122929-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES CYP1A1, PRXL2A, CYP1A2 CYP2C19 100/4885MAPK1 1463/4885POLB 2472/4885
US-20160309719-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES CYP1A1, PRXL2A, CYP1A2 CYP2C19 100/4885MAPK1 1463/4885POLB 2472/4885
US-20140206646-A1 Heteroarylpiperidine and -piperazine derivatives as fungicides CYP1A1, PRXL2A, CYP1A2 CYP2C19 100/4885MAPK1 1463/4885POLB 2472/4885
US-20140228387-A1 DISUBSTITUTED 5-FLUORO-PYRIMIDINES DPYD, DHFR, TYMP CYP2C19 213/4885MAPK1 1205/4885POLB 83/4885
US-20130296272-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES CYP1A1, PRXL2A, CYP1A2 CYP2C19 100/4885MAPK1 1463/4885POLB 2472/4885

“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.