SCHEMBL22804

SCHEMBL22804

Cc1c[c]c(OS(C)(=O)=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CYP1A2 P05177 1/20 0.33
ALPL P05186 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.32
PPARG P37231 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CA12 O43570 1/20 0.30
CA3 P07451 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 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
SCHEMBL15067473 0.78 SMN1; SMN2 (0.30)
SCHEMBL24397 0.78 CA1 (0.34) CA1CA2CA9PPARGCA12
SCHEMBL23705 0.72 CYP1A2 (0.36) CYP1A2ALPLTSHRHSD17B10GAA
SCHEMBL23282 0.71 CA1 (0.39) CA1CA2CA9CYP1A2ALPL
SCHEMBL23130 0.69 CYP1A2 (0.31) CA1CA2CA9CYP1A2ALPL
SCHEMBL4728987 0.68 GAA (0.36) CA1CA2CA9GAACA12
SCHEMBL168170 0.67 CA2 (0.64) CA1CA2CA9TSHRGAA
SCHEMBL1207463 0.67 NQO1 (0.37) TSHRKDM4E
SCHEMBL8782095 0.67
SCHEMBL15068010 0.67

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 43 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
US-10426169-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-10-01 US disclosed
EP-2921484-B1 OXAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2018-07-18 EP disclosed
EP-2921485-B1 ISOXAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2018-07-18 EP disclosed
EP-2609094-B1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER IP GMBH (DE) 2018-05-30 EP disclosed
US-20180103641-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-19 US disclosed
US-9930890-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-04-03 US disclosed
EP-2921495-B1 HETEROARYLPIPERIDINE AND HETEROARYLPIPERAZINE DERIVATIVES AS FUNGICIDES BAYER IP GMBH (DE) 2018-03-28 EP disclosed
US-20180007903-A1 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-01-11 US disclosed
US-20150024935-A1 HETEROARYLPIPERIDINE AND PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-01-22 US disclosed
EP-2797899-A2 HETEROARYLPIPERIDINE AND PIPERAZINE DERIVATIVES AS FUNGICIDES Bayer Intellectual Property GmbH (DE) 2014-11-05 EP 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
WO-2013098229-A2 HETEROARYLPIPERIDINE AND PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-04 WO 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-10426169-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides RB1, RBX1, RRP12 CA1 3213/4885CA2 777/4885CA9 2987/4885
US-20180103641-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES RB1, RBX1, RRP12 CA1 3213/4885CA2 777/4885CA9 2987/4885
US-20180007903-A1 Heteroarylpiperidine and -piperazine derivatives as fungicides CYP1A1, PRXL2A, CYP1A2 CA1 3347/4885CA2 973/4885CA9 3170/4885
US-20120122929-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES CYP1A1, PRXL2A, CYP1A2 CA1 3347/4885CA2 973/4885CA9 3170/4885
US-20150024935-A1 HETEROARYLPIPERIDINE AND PIPERAZINE DERIVATIVES AS FUNGICIDES RB1, RBX1, RRP12 CA1 3427/4885CA2 981/4885CA9 3194/4885
US-20140206646-A1 Heteroarylpiperidine and -piperazine derivatives as fungicides CYP1A1, PRXL2A, CYP1A2 CA1 3347/4885CA2 973/4885CA9 3170/4885
US-20130296272-A1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES CYP1A1, PRXL2A, CYP1A2 CA1 3347/4885CA2 973/4885CA9 3170/4885

“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.