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Sugi Predict / Compounds / SCHEMBL1008601

SCHEMBL1008601

SCHEMBL1008601

CCOC(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.48
▸ KMT2A Q03164 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PTGER4 P35408 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL12848306 0.88 CYP1A2 (0.56) MAPTKMT2ACA12CA1CA2
SCHEMBL29056028 0.87 NOTUM (0.51) MAPTKMT2ACA12CA1CA2
SCHEMBL31359219 0.87 NOTUM (0.51) MAPTKMT2ACA12CA1CA2
SCHEMBL753526 0.85 PTGER4 (0.57) KMT2ACA12CA1CA2CA7
SCHEMBL28294971 0.84 RAB9A (0.50) KMT2ACA12CA1CA2CA7
SCHEMBL17047601 0.84 HSD17B2 (0.46) MAPTKMT2ACA12CA1CA2
SCHEMBL3633058 0.82 KMT2A (0.64) MAPTKMT2ACA12CA1CA2
SCHEMBL16399332 0.82 MAPT (0.45) MAPTKMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL24829712 0.82 HDAC1 (0.48) KMT2ACA12CA1CA2CA7
SCHEMBL753425 0.81 KMT2A (0.72) MAPTKMT2ACYP1A2CYP2C9PTGER4

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180333406-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2018-11-22 — — US disclosed
EP-2440245-B1 BENZONAPHTHYRIDINE-CONTAINING VACCINES GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2017-12-06 — — EP disclosed
EP-2512478-B1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2017-04-19 — — EP disclosed
US-9597326-B2 Benzonapthyridine compositions and uses thereof GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2017-03-21 — — US disclosed
US-20160375132-A1 HOMOGENOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2016-12-29 — — US disclosed
US-9517263-B2 Benzonaphthyridine-containing vaccines GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2016-12-13 — — US disclosed
US-9408907-B2 Homogenous suspension of immunopotentiating compounds and uses thereof GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2016-08-09 — — US disclosed
EP-2268618-B1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS AG (CH) 2015-05-27 — — EP disclosed
US-8895577-B2 Compounds and compositions as TLR activity modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2014-11-25 — — US disclosed
US-20130253002-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-09-26 — — US disclosed
EP-2512478-A1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF Novartis AG (CH) 2012-10-24 — — EP disclosed
US-20120263753-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES NOVARTIS AG (CH) 2012-10-18 — — US disclosed
EP-2440245-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES Novartis AG (CH) 2012-04-18 — — EP disclosed
WO-2011130379-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF NOVARTIS AG (CH) 2011-10-20 — — WO disclosed
WO-2011084549-A1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2011-07-14 — — WO disclosed
CN-102015651-A Compounds and compositions as TLR activity modulators IRM LLC 2011-04-13 — — CN disclosed
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-04-07 — — US disclosed
EP-2268618-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-01-05 — — EP disclosed
WO-2010144734-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES NOVARTIS AG (CH) 2010-12-16 — — WO disclosed
WO-2009111337-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2009-09-11 — — 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 (5 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-20130253002-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS TLR5, TLR8, TLR7 MAPT 3776/4885KMT2A 3073/4885CA12 3590/4885
US-20160375132-A1 HOMOGENOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF CD14, ICOS, CD69 MAPT 2515/4885KMT2A 2877/4885CA12 2991/4885
US-20120263753-A1 BENZONAPHTHYRIDINE-CONTAINING VACCINES LY96, TLR3, GABRA4 MAPT 1442/4885KMT2A 1662/4885CA12 1791/4885
US-20110081365-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS TLR5, TLR8, TLR7 MAPT 3776/4885KMT2A 3073/4885CA12 3590/4885
US-20180333406-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF HAMP, MAVS, MYD88 MAPT 1908/4885KMT2A 4219/4885CA12 3836/4885

“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.