SCHEMBL1722016

SCHEMBL1722016

Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
JAK2 O60674 3/20 0.39
BTK Q06187 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
LIPG Q9Y5X9 2/20 0.38
LPL P06858 1/20 0.38
P4HB P07237 1/20 0.37
MYC P01106 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
AKR1B10 O60218 1/20 0.36
TRPA1 O75762 1/20 0.36

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
SCHEMBL20145970 0.87 JAK2 (0.39) JAK2BTKLIPGLPLP4HB
SCHEMBL16034519 0.86 JAK2 (0.40) ALDH1A1JAK2BTKLIPGLPL
SCHEMBL2029210 0.86 JAK2 (0.39) TSHRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2732956 0.85 LIPG (0.35) TSHRJAK2BTKLIPGLPL
SCHEMBL1130915 0.85 ALDH1A1 (0.45) TSHRALDH1A1KDM4EHPGDHSD17B10
Lithium Ion SCHEMBL31224653 0.84 JAK2 (0.40) TSHRALDH1A1KDM4EHPGDJAK2
SCHEMBL18252680 0.84 ALDH1A1 (0.47) TSHRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL562324 0.83 LMNA (0.40) TSHRALDH1A1KDM4EHSD17B10JAK2
SCHEMBL3185687 0.83 ALB (0.39) ALDH1A1KDM4EHPGDHSD17B10JAK2
SCHEMBL28700945 0.83 TSHR (0.47) TSHRALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109195602-B Symmetrical or semi-symmetrical compounds useful as immunomodulators 上海齐鲁制药研究中心有限公司 2022-01-07 CN disclosed
US-10851119-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2020-12-01 US disclosed
US-10851119-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2020-12-01 US disclosed
EP-3696174-A1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-08-19 EP disclosed
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2020-05-21 US disclosed
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2020-05-21 US disclosed
US-20200095217-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-03-26 US disclosed
US-10464951-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2019-11-05 US disclosed
US-10464951-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2019-11-05 US disclosed
US-10450288-B2 Hydroxy formamide derivatives and their use GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-10-22 US disclosed
WO-2007147104-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-21 WO disclosed
WO-2007147103-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-21 WO disclosed
EP-1865959-A2 PROCESS FOR PREPARING PYRIDOÝ2,3-D¨PYRIMIDIN-7-ONE AND 3,4-DIHYDROPYRIMIDOÝ4,5-D¨PYRIMIDIN-2(1H)-ONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-12-19 EP disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20060258687-A1 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives GLAXO GROUP LIMITED (GB) 2006-11-16 US disclosed
US-20060235029-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-10-19 US disclosed
WO-2006104915-A2 8-PHENYL-7,8-DIHYDROPYRIDO[2,3-d]PYRIMIDIN-7-ONES AND THEIR USE AS PHARMACEUTICALS GLAXO GROUP LIMITED (GB) 2006-10-05 WO disclosed
WO-2006104917-A2 PROCESS FOR PREPARING PYRIDO[2,3-D]PYRIMIDIN-7-ONE AND 3,4-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-2(1H)-ONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-10-05 WO disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 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-10464951-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR TSHR 236/4885ALDH1A1 2724/4885KDM4E 1805/4885
US-20060258687-A1 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives CBR3, CBR1, CYP2S1 TSHR 249/4885ALDH1A1 865/4885KDM4E 4066/4885
US-10851119-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR TSHR 236/4885ALDH1A1 2724/4885KDM4E 1805/4885
US-20200095217-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE BMP1, BMPR1A, BMPR2 TSHR 449/4885ALDH1A1 471/4885KDM4E 3090/4885
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES CD22, BRDT, BCR TSHR 236/4885ALDH1A1 2724/4885KDM4E 1805/4885
US-10450288-B2 Hydroxy formamide derivatives and their use BMP1, BMPR1A, BMPR2 TSHR 449/4885ALDH1A1 471/4885KDM4E 3090/4885
US-20060235029-A1 Novel compounds MAPKAPK2, CDC42BPB, MAPK8 TSHR 3899/4885ALDH1A1 4600/4885KDM4E 2407/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 TSHR 2958/4885ALDH1A1 1563/4885KDM4E 1444/4885

“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.