SCHEMBL16447388

SCHEMBL16447388

O=Cc1c(F)ccc(OCCOCc2ccccc2)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AR P10275 5/20 0.41
ERN1 O75460 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
NAAA Q02083 1/20 0.36
MAPK14 Q16539 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL19871730 0.87 MAPK14 (0.36) SMN1; SMN2RAB9AARNAAAMAPK14
SCHEMBL24167762 0.85 AR (0.43) SMN1; SMN2NPC1MAPTRAB9AL3MBTL1
SCHEMBL16446744 0.81 AR (0.41) SMN1; SMN2NPC1MAPTRAB9AL3MBTL1
SCHEMBL454218 0.79 AR (0.45) SMN1; SMN2NPC1MAPTRAB9AL3MBTL1
SCHEMBL18053755 0.76 GAA (0.41) SMN1; SMN2MAPTL3MBTL1ARERN1
SCHEMBL453452 0.76 AR (0.37) SMN1; SMN2NPC1MAPTRAB9AL3MBTL1
SCHEMBL15655794 0.74 AR (0.45) SMN1; SMN2NPC1MAPTRAB9AL3MBTL1
SCHEMBL411745 0.74 NPC1 (0.56) SMN1; SMN2NPC1MAPTRAB9AL3MBTL1
SCHEMBL24586998 0.72 L3MBTL1 (0.41) SMN1; SMN2NPC1MAPTRAB9AL3MBTL1
SCHEMBL410179 0.71 NPC1 (0.54) SMN1; SMN2NPC1MAPTRAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4029870-A1 TRICYCLIC BENZOXABOROLE COMPOUNDS AND USES THEREOF GlaxoSmithKline Intellectual Property (No.2) Limited (GB) 2022-07-20 EP disclosed
CN-110003253-B Tricyclic benzoxaborole compounds and uses thereof 葛兰素史克知识产权第二有限公司 2022-03-18 CN disclosed
EP-3030519-B1 TRICYCLIC BENZOXABOROLE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE IP NO 2 LTD (GB) 2022-01-05 EP disclosed
EP-3030519-B1 TRICYCLIC BENZOXABOROLE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE IP NO 2 LTD (GB) 2022-01-05 EP disclosed
US-20210053999-A1 Tricyclic Benzoxaborole Compounds and Uses Thereof GLAXOSMITHKLINE IP NO 2 LTD (GB) 2021-02-25 US disclosed
US-10858376-B2 Tricyclic benzoxaborole compounds and uses thereof GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2020-12-08 US disclosed
US-20200095266-A1 Tricyclic Benzoxaborole Compounds and Uses Thereof GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2020-03-26 US disclosed
US-20190241586-A1 Tricyclic Benzoxaborole Compounds and Uses Thereof GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2019-08-08 US disclosed
US-20190241586-A1 Tricyclic Benzoxaborole Compounds and Uses Thereof GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2019-08-08 US disclosed
US-10308668-B2 Tricyclic benzoxaborole compounds and uses thereof GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-06-04 US disclosed
US-20180044355-A1 TRICYCLIC BENZOXABOROLE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-02-15 US disclosed
US-20180037595-A1 BENZOXABOROLE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-02-08 US disclosed
EP-3256480-A1 BENZOXABOROLE COMPOUNDS AND USES THEREOF Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-12-20 EP disclosed
US-20160251380-A1 TRICYCLIC BENZOXABOROLE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-09-01 US disclosed
WO-2016128949-A1 BENZOXABOROLE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-08-18 WO disclosed
EP-3030519-A2 TRICYCLIC BENZOXABOROLE COMPOUNDS AND USES THEREOF Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2016-06-15 EP disclosed
WO-2015021396-A9 TRICYCLIC BENZOXABOROLE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-02-11 WO disclosed
WO-2015021396-A2 TRICYCLIC BENZOXABOROLE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-02-12 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 (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-20190241586-A1 Tricyclic Benzoxaborole Compounds and Uses Thereof CBX2, BRD4, BRD3 SMN1; SMN2 3891/4885NPC1 1618/4885MAPT 4191/4885
US-20210053999-A1 Tricyclic Benzoxaborole Compounds and Uses Thereof CBX2, BRD4, BRD3 SMN1; SMN2 3891/4885NPC1 1618/4885MAPT 4191/4885
US-20160251380-A1 TRICYCLIC BENZOXABOROLE COMPOUNDS AND USES THEREOF CBX2, BRD4, BRD3 SMN1; SMN2 3891/4885NPC1 1618/4885MAPT 4191/4885
US-20180037595-A1 BENZOXABOROLE COMPOUNDS AND USES THEREOF BRD3, BRPF3, BRD4 SMN1; SMN2 3699/4885NPC1 1715/4885MAPT 4479/4885
US-20200095266-A1 Tricyclic Benzoxaborole Compounds and Uses Thereof CBX2, BRD4, BRD3 SMN1; SMN2 3891/4885NPC1 1618/4885MAPT 4191/4885
US-20180044355-A1 TRICYCLIC BENZOXABOROLE COMPOUNDS AND USES THEREOF CBX2, BRD4, BRD3 SMN1; SMN2 3891/4885NPC1 1618/4885MAPT 4191/4885
US-10858376-B2 Tricyclic benzoxaborole compounds and uses thereof CBX2, BRD4, BRD3 SMN1; SMN2 3891/4885NPC1 1618/4885MAPT 4191/4885
US-10308668-B2 Tricyclic benzoxaborole compounds and uses thereof CBX2, BRD4, BRD3 SMN1; SMN2 3891/4885NPC1 1618/4885MAPT 4191/4885

“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.