SCHEMBL3593147

SCHEMBL3593147

COC(Cc1ccccc1)OS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LAP3 P28838 1/20 0.40
TAAR1 Q96RJ0 3/20 0.39
SLC6A2 P23975 2/20 0.39
MAOA P21397 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CYP2A6 P11509 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MMP1 P03956 2/20 0.39
MMP13 P45452 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP24A1 Q07973 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL7987728 0.90 TAAR1 (0.43) MEN1KMT2ALAP3TAAR1SLC6A2
SCHEMBL3589541 0.81 TAAR1 (0.47) MEN1KMT2ATAAR1SLC6A2MAOA
SCHEMBL21378558 0.81 TAAR1 (0.47) MEN1KMT2ATAAR1SLC6A2MAOA
SCHEMBL22441312 0.81 TAAR1 (0.47) MEN1KMT2ATAAR1SLC6A2MAOA
SCHEMBL112281 0.80 TAAR1 (0.52) LAP3TAAR1SLC6A2MAOASLC6A4
SCHEMBL14764261 0.80 TAAR1 (0.52) LAP3TAAR1SLC6A2MAOASLC6A4
SCHEMBL17372882 0.78 MEN1 (0.40) MEN1KMT2ATAAR1SLC6A2MAOA
SCHEMBL15319339 0.78 MEN1 (0.40) MEN1KMT2ATAAR1SLC6A2MAOA
SCHEMBL16550740 0.78 MEN1 (0.40) MEN1KMT2ATAAR1SLC6A2MAOA
SCHEMBL9023752 0.78 CYP24A1 (0.41) MEN1KMT2ATAAR1SLC6A2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2834233-B1 NEW ALPHA2 ADRENOCEPTOR AGONISTS ORION CORP (FI) 2018-04-25 EP disclosed
US-9249127-B2 Alpha2 adrenoceptor agonists ORION CORPORATION (FI) 2016-02-02 US disclosed
US-20150126516-A1 PIPERIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-07 US disclosed
EP-2845851-A1 PIPERIDINE COMPOUND AND PEST-CONTROL USE THEREFORE Sumitomo Chemical Company Limited (JP) 2015-03-11 EP disclosed
US-20150065550-A1 NEW ALPHA2 ADRENOCEPTOR AGONISTS ORION CORPORATION (FI) 2015-03-05 US disclosed
EP-2834233-A1 NEW ALPHA2 ADRENOCEPTOR AGONISTS Orion Corporation (FI) 2015-02-11 EP disclosed
WO-2013150173-A1 NEW ALPHA2 ADRENOCEPTOR AGONISTS ORION CORPORATION (FI) 2013-10-10 WO disclosed
US-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-2128136-A1 2-PHENYLNICOTINIC ACID DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2009-12-02 EP disclosed
US-4490165-A Meta-(phenylalkoxy)phenyl-N-methoxy-N-methylurea compounds, methods for preparing same and herbicidal use thereof AMERICAN CYANAMID COMPANY (US) 1984-12-25 US disclosed
US-4308213-A Meta-(phenylalkoxy)phenyl-N-methoxy-N-methylurea compounds AMERICAN CYANAMID COMPANY (US) 1981-12-29 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 (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-20150065550-A1 NEW ALPHA2 ADRENOCEPTOR AGONISTS ADRA2A, ADRB2, ADRA2C MEN1 3502/4885KMT2A 2094/4885LAP3 3178/4885
US-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE XDH, NUDT1, PNPO MEN1 4365/4885KMT2A 1478/4885LAP3 1034/4885
US-20150126516-A1 PIPERIDINE COMPOUND AND ITS USE IN PEST CONTROL ZYX, CXXC5, CNBP MEN1 1208/4885KMT2A 734/4885LAP3 2600/4885

“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.