SCHEMBL846807

SCHEMBL846807

Cc1ccc(-c2c(SCC(=O)OC(C)(C)C)cnn2C)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PRMT5 O14744 2/20 0.34
WDR77 Q9BQA1 2/20 0.34
CCNB2 O95067 1/20 0.34
CCNE2 O96020 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
CCND1 P24385 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
ALDH1A1 P00352 3/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 2/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL846412 0.85 GRK6 (0.40) PDE2AALDH1A1TSHRKDM4EMEN1
SCHEMBL13076121 0.74 PDE2A (0.43) PDE2ATSHRRAB9A
SCHEMBL13076118 0.73 PDE2A (0.43) PDE2ATSHRRAB9A
SCHEMBL859848 0.71 PDE2A (0.41) PDE2ATSHRRAB9A
SCHEMBL9610097 0.71 PPOX (0.41) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL9912411 0.69 PDE2A (0.47) PDE2ATSHRRAB9A
SCHEMBL859493 0.67 PDE2A (0.46) PDE2AHTR2AHTR2C
SCHEMBL19403427 0.67 POLB (0.48) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL29812367 0.67 POLB (0.48) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL859530 0.66 PPOX (0.39) ALDH1A1GLAMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20120122780-A1 Compounds, Compositions and Methods for Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-17 US disclosed
US-20120122780-A1 Compounds, Compositions and Methods for Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-17 US disclosed
EP-2432774-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING URIC ACID LEVELS Ardea Biosciences, Inc. (US) 2012-03-28 EP disclosed
WO-2010135530-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING URIC ACID LEVELS ARDEA BIOSCIENCES, INC. (US) 2010-11-25 WO disclosed
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 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 (2 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-20120122780-A1 Compounds, Compositions and Methods for Modulating Uric Acid Levels XDH, PON1, RBP4 PDE2A 226/4885CNR1 2162/4885CNR2 1881/4885
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E PDE2A 2299/4885CNR1 2296/4885CNR2 4096/4885

“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.