SCHEMBL9610097

SCHEMBL9610097

Cc1ccc(-n2nccc2SCC(=O)OC(C)(C)C)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 4/20 0.41
KDM4A O75164 1/20 0.36
KDM5A P29375 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
ALDH1A1 P00352 6/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
GLA P06280 1/20 0.35
LMNA P02545 4/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD11B1 P28845 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL13064242 0.88 ALDH1A1 (0.46) PPOXKDM4AKDM5AKDM2BKDM4C
SCHEMBL9610123 0.84 KDM4A (0.40) KDM4AKDM5AKDM2BKDM4CKDM5B
SCHEMBL859530 0.79 PPOX (0.39) PPOXALDH1A1L3MBTL1GLALMNA
SCHEMBL9610129 0.79 KDM5A (0.45) KDM4AKDM5AKDM2BKDM4CKDM5B
SCHEMBL846807 0.71 PDE2A (0.36) PPOXALDH1A1GLACYP3A4MAPT
SCHEMBL861475 0.70 POLB (0.44) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL9610084 0.67 BCHE (0.37) KDM4AKDM5AKDM2BKDM4CKDM5B
SCHEMBL860225 0.67 HSD11B1 (0.52) ALDH1A1CYP3A4HSD11B1MEN1KMT2A
SCHEMBL19386035 0.66 NPC1 (0.47) ALDH1A1L3MBTL1MAPTSMN1; SMN2MEN1
SCHEMBL9610096 0.65 BCHE (0.37) KDM4AKDM5AKDM2BKDM4CKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372807-B2 Methods of modulating uric acid levels ARDEA BIOSCIENCES, INC. (US) 2013-02-12 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20120135929-A1 Methods Of Modulating Uric Acid Levels ARDEA BIOSCIENCES INC. (US) 2012-05-31 US 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-20120135929-A1 Methods Of Modulating Uric Acid Levels XDH, PON1, OAT PPOX 1717/4885KDM4A 3190/4885KDM5A 2705/4885
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E PPOX 3881/4885KDM4A 1612/4885KDM5A 2000/4885

“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.