SCHEMBL419982

SCHEMBL419982

NC(=O)C1COc2[c]cc(F)cc2O1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1A1 P14550 1/20 0.36
POLB P06746 2/20 0.33
NISCH Q9Y2I1 1/20 0.33
MAPT P10636 2/20 0.31
RECQL P46063 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.30
SIRT1 Q96EB6 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
SCHEMBL3344311 0.69 POLB (0.40) POLBNISCHMAPTMEN1KMT2A
SCHEMBL3347508 0.69 POLB (0.40) POLBNISCHMAPTMEN1KMT2A
SCHEMBL3873649 0.67 PARP1 (0.36) NISCH
SCHEMBL6374553 0.65 NISCH (0.45) POLBNISCHMEN1KMT2A
SCHEMBL3069893 0.65 NISCH (0.45) POLBNISCHMEN1KMT2A
SCHEMBL2977327 0.64 NISCH (0.71) POLBNISCHRECQLMEN1KMT2A
SCHEMBL7216342 0.64 CA2 (0.52) NISCHMEN1KMT2ASIRT2SIRT1
Hydrochloric Acid SCHEMBL17845907 0.63 NISCH (0.69) POLBNISCHRECQLMEN1KMT2A
Hydrochloric Acid SCHEMBL11099585 0.63 NISCH (0.69) POLBNISCHRECQLMEN1KMT2A
SCHEMBL21198154 0.63 NISCH (0.46) POLBNISCHMAPTMEN1KMT2A

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
US-8106048-B2 protozoal infestations in humans and animals, by bacteria, viruses or proteinaceous agents; neurological diseases or disorders; ischemia and/or reperfusion injury; 4-(4-Ethoxycarbonyl-4,5-dihydro-thiazol-2-yl)-piperidine-1-carboxylic acid t-butyl ester 4SC AG (DE) 2012-01-31 US disclosed
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2012-01-26 US disclosed
US-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-10-21 US disclosed
US-7812041-B2 Heterocyclic NF-κB inhibitors 4SC AG (DE) 2010-10-12 US disclosed
US-20100048583-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-02-25 US disclosed
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2010-02-25 US disclosed
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-01-07 US disclosed
US-7601745-B2 Heterocyclic NF-kB inhibitors 4SC AG (DE) 2009-10-13 US disclosed
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors 4SC AG (DE) 2008-10-23 US disclosed
US-20060247253-A1 Novel heterocyclic NF-kB inhibitors 4 SC AG (DE) 2006-11-02 US disclosed
US-20060069102-A1 Novel heterocyclic NF-kB inhibitors 4 SC AG (DE) 2006-03-30 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 (8 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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors NFKB2, NFKBIA, NFRKB AKR1B1 1330/4885AKR1B10 1339/4885AKR1A1 1699/4885
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKBIA, IKBKB, NFKB2 AKR1B1 397/4885AKR1B10 459/4885AKR1A1 1025/4885
US-20060247253-A1 Novel heterocyclic NF-kB inhibitors NFKBIA, NFRKB, NFKB2 AKR1B1 600/4885AKR1B10 477/4885AKR1A1 1235/4885
US-20100048583-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, NFKB2, NFRKB AKR1B1 952/4885AKR1B10 942/4885AKR1A1 1493/4885
US-20120022068-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKB2, NFKBIA, NFRKB AKR1B1 1330/4885AKR1B10 1339/4885AKR1A1 1699/4885
US-20080261971-A1 Novel Heterocyclic Nf-Kb Inhibitors NFKBIA, NFKB2, NFRKB AKR1B1 1030/4885AKR1B10 1128/4885AKR1A1 1653/4885
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, IKBKB, NFKB2 AKR1B1 405/4885AKR1B10 463/4885AKR1A1 1044/4885
US-20060069102-A1 Novel heterocyclic NF-kB inhibitors NFKBIA, NFKB2, NFRKB AKR1B1 894/4885AKR1B10 1031/4885AKR1A1 1422/4885

“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.